English Safety Data Sheet Database 中文版 MSDS

phenylacetonitrile

CAS No. 140-29-4 | PubChem CID 8794
Section 1. Identification
Chemical Namephenylacetonitrile CAS No.140-29-4
Synonymsbenzylcyanide Chinese Name苯乙腈
Molecular FormulaC8H7N Molecular Weight117.16
UN No.2470 Data SourcePubChem (NIH/NLM)
GHS Hazard Classification
Signal Word DANGER
Pictograms GHS06 · Acute Toxic GHS07 · Irritant GHS08 · Health Hazard
Hazard Statements H301H302H311H330H319H372
Precautionary Statements P260P262P264P270P271P280P284P301+P316P301+P317P302+P352P304+P340P316P320P321P330P361+P364P403+P233P405P501P264+P265P305+P351+P338P319P337+P317

Section 2. Hazards Identification

H301 (88%): Toxic if swallowed [Danger Acute toxicity, oral]

H302 (12%): Harmful if swallowed [Warning Acute toxicity, oral]

H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]

H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1715 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

H301: Toxic if swallowed [Danger Acute toxicity, oral]

H311: Toxic in contact with skin [Danger Acute toxicity, dermal]

H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H330: Fatal if inhaled [Danger Acute toxicity, inhalation]

H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P337+P317, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Section 4. First-Aid Measures

Warning: Benzyl cyanide may be fatal if inhaled, swallowed, or absorbed through skin or mucous membranes. Caution is advised.

Signs and Symptoms of Acute Benzyl Cyanide Exposure: Signs and symptoms of acute exposure to benzyl cyanide may include hypertension (high blood pressure) and tachycardia (rapid heart rate), followed by hypotension (low blood pressure) and bradycardia (slow heart rate). Cherry-red or bloody mucous membranes may be noted. Cardiac arrhythmias and other cardiac abnormalities are common. Cyanosis (blue tint to the skin and mucous membranes) may be observed. Headache, vertigo (dizziness), agitation, and giddiness may be followed by combative behavior, convulsions, paralysis, protruding eyeballs, dilated and unreactive pupils, and coma. Tachypnea (rapid, shallow respirations) or hyperpnea (rapid, deep respirations) may be followed by respiratory depression. Lung hemorrhage and pulmonary edema may also occur. Benzyl cyanide is irritating to the skin, eyes, and mucous membranes. Lacrimation (tearing) and a burning sensation of the mouth and throat are common. Salivation, nausea, and vomiting may also occur.

Emergency Life-Support Procedures: Acute exposure to benzyl cyanide may require decontamination and life support for the victims. All exposed persons should be transported to a health care facility as quickly as possible. Emergency personnel should wear protective clothing appropriate to the type and degree of contamination. Air-purifying or supplied-air respiratory equipment should also be worn, as necessary. Rescue vehicles should carry supplies such as plastic sheeting and disposable plastic bags to assist in preventing spread of contamination.

Inhalation Exposure:

1. Move victims to fresh air. Emergency personnel should avoid self-exposure to benzyl cyanide.

2. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. IMMEDIATELY begin administering 100% oxygen to all victims. Monitor victims for respiratory distress.Warning: To prevent self-poisoning, avoid mouth-to-mouth breathing; use a forced-oxygen mask. Direct oral contact with benzyl cyanide-contaminated persons or their gastric contents can result in self-poisoning.

3. RUSH to a health care facility!

4. Obtain authorization and/or further instructions from the local hospital for administration of an antidote or performance of other invasive procedures.

Dermal/Eye Exposure:

1. Remove victims from exposure. Emergency personnel should avoid self- exposure to benzyl cyanide.

4. Remove contaminated clothing as soon as possible.

5. If eye exposure has occurred, eyes must be flushed with lukewarm water for at least 15 minutes.

6. Wash exposed skin areas twice with soap and water.

7. Obtain authorization and/or further instructions from the local hospital for administration of an antidote or performance of other invasive procedures.

Ingestion Exposure:

1. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. IMMEDIATELY begin administering 100% oxygen to all victims. Monitor victims for respiratory distress.Warning: To prevent self-poisoning, avoid mouth-to-mouth breathing; use a forced-oxygen mask. Direct oral contact with benzyl cyanide-contaminated persons or their gastric contents can result in self-poisoning.

2. RUSH to a health care facility!

3. DO NOT induce vomiting or attempt to neutralize!

5. Activated charcoal may be administered if victims are conscious and alert. Use 15 to 30 g (1/2 to 1 oz) for children, 50 to 100 g (1-3/4 to 3-1/2 oz) for adults, with 125 to 250 mL (1/2 to 1 cup) of water.

6. Promote excretion by administering a saline cathartic or sorbitol to conscious and alert victims. Children require 15 to 30 g (1/2 to 1 oz) of cathartic; 50 to 100 g (1-3/4 to 3-1/2 oz) is recommended for adults. (EPA, 1998)

General First Aid:

· Call 911 or emergency medical service.

· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.

· Move victim to fresh air if it can be done safely.

· Administer oxygen if breathing is difficult.

· If victim is not breathing:

-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.

-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).

-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.

· Remove and isolate contaminated clothing and shoes.

· For minor skin contact, avoid spreading material on unaffected skin.

· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.

· For severe burns, immediate medical attention is required.

· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.

· Keep victim calm and warm.

· Keep victim under observation.

· For further assistance, contact your local Poison Control Center.

· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.

Specific First Aid:

· Removal of solidified molten material from skin requires medical assistance.

Section 5. Fire-Fighting Measures

Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Ventilate closed spaces before entering them. Wear positive pressure breathing apparatus and special protective clothing. Remove and isolate contaminated clothing at the site.

Small fires: dry chemical, carbon dioxide, water spray, or foam. Large fires: water spray, fog, or foam. Move container from fire area if you can do it without risk. Fight fire from maximum distance. Dike fire control water for later disposal; do not scatter the material. (EPA, 1998)

Section 6. Accidental Release Measures

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Keep unauthorized personnel away.

· Stay upwind, uphill and/or upstream.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

· Stop leak if you can do it without risk.

· Prevent entry into waterways, sewers, basements or confined areas.

· Cover with plastic sheet to prevent spreading.

· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.

· DO NOT GET WATER INSIDE CONTAINERS.

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.

SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.

FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Immediate precautionary measure

· Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.

· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.

· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.

· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.

...Combustion in an approved incinerator for a chemical waste.

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Section 7. Handling and Storage

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Cover with plastic sheet to prevent spreading. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)

Section 8. Exposure Controls / Personal Protection

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.

· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

0.39 [mg/m3]

4.3 [mg/m3]

15 [mg/m3]

Small Fire

· Dry chemical, CO2 or water spray.

Large Fire

· Water spray, fog or regular foam.

· If it can be done safely, move undamaged containers away from the area around the fire.

· Dike runoff from fire control for later disposal.

· Avoid aiming straight or solid streams directly onto the product.

Fire Involving Tanks, Rail Tank Cars or Highway Tanks

· Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.

· Do not get water inside containers.

· Cool containers with flooding quantities of water until well after fire is out.

· Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.

· ALWAYS stay away from tanks in direct contact with flames.

· For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn.

For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)

Section 9. Physical and Chemical Properties

Phenylacetonitrile, liquid appears as a colorless oily liquid with an aromatic odor. Insoluble in water and slightly denser than water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

Colorless liquid; [HSDB] Faintly yellow liquid, soluble in water; [MSDSonline]

Colorless oily liquid

Aromatic odor

451.4 °F at 760 mmHg (EPA, 1998)

233.5 °C

233.00 to 234.00 °C. @ 760.00 mm Hg

233.5 °C @760 [mm Hg]

-10.8 °F (EPA, 1998)

-23.8 °C

215 °F (NTP, 1992)

102 °C (closed cup)

235 °F (113 °C) (Open cup)

less than 1 mg/mL at 63 °F (NTP, 1992)

Miscible with oxygenated solvents.

SOL IN ALL PROP IN ALC, ETHER; SOL IN ACETONE

In water, 100 mg/L at 25 °C

0.1 mg/mL at 25 °C

1.0214 at 59 °F (EPA, 1998) - Denser than water; will sink

1.0214 @ 15°C

1 mmHg at 140 °F (EPA, 1998)

0.08 [mmHg]

0.089 mm Hg at 25 °C /Extrapolated/

1 [mm Hg] @60 °C

log Kow = 1.56

Henry's Law constant = 1.4X10-4 atm-cu m/mole at 25 °C /Estimated/

When heated to decomposition it emits very toxic fumes of /hydrogen cyanide and nitrogen oxides/.

Index of refraction: 1.52105 @ 25 °C/D

Hydroxyl radical reaction rate constant = 2.1X10-12 cu cm/molec-sec at 25 °C /Estimated/

13C nuclear magnetic resonance spectrum

Schoenflies notation

Boiling point

Chemical bond

Chemical shift

Diamagnetic susceptibility

Dielectric constant

Fusion temperature

Heat of sublimation

Internuclear distance

Magnetic susceptibility

Section 10. Stability and Reactivity

This chemical is moisture sensitive. Insoluble in water.

Nitriles

PHENYLACETONITRILE can react with strong acids, strong bases, strong oxidizing agents and strong reducing agents. It may react vigorously with sodium hypochlorite. (NTP, 1992).

Explosive reaction with sodium hypochlorite.

Section 11. Toxicological Information

Organic nitriles decompose into cyanide ions both in vivo and in vitro. Consequently the primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)

No indication of carcinogenicity to humans (not listed by IARC).

Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)

Oral (L96) ; inhalation (L96) ; dermal (L96)

Cyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97)

Other Poison - Chemical Asphyxiant

LC50 (rat) = 430 mg/m3/2hr

LD50: 270 mg/kg (Dermal, Rabbit) (T89)

LD50: 10 mg/kg (Intraperitoneal, Mouse) (T14)

LD50: 45.5 mg/kg (Oral, Mouse) (T14)

LD50: 0.05 mg/L over 4 hours (Inhalation, Mouse) (T89)

LD50 Rabbit dermal 270 mg/kg bw

LC50 Mouse inhalation 0.05 mg/L/4hr

LC50 Rat inhalation 0.215 mg/L/4hr

LD50 Mouse intraperitoneal 10 mg/kg

For more Non-Human Toxicity Values (Complete) data for PHENYLACETONITRILE (9 total), please visit the HSDB record page.

Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)

/LABORATORY ANIMALS: Acute Exposure/ Exposure time: 24 hr, intact or abraded skin /of rabbit,/ occlusive. Result: slightly irritating.

/LABORATORY ANIMALS: Acute Exposure/ Lethal doses of benzyl cyanide in the rat were 0.64 mmol/kg (ip), 1.8 and 2.6 mmol/kg (po) for female and male rats, respectively. Sublethal oral doses of benzyl cyanide were nephrotoxic causing increased excretion of protein, amino acids and glucose. Cyanide was slowly liberated from the dosed nitrile and excreted as cyanide and thiocyanate, the proportion of the former increasing with increasing i.p. dose and with the highest oral dose. The oral cyanide antidote was ineffective against benzyl cyanide and the intravenous antidote, Kelocyanor (cobalt edetate), had little beneficial effect.

/LABORATORY ANIMALS: Acute Exposure/ The ability of benzyl cyanide to penetrate the intact skin was tested by immersing the tails of white mice in the substance for 40-60 min, meanwhile excluding any possibility of inhalation. Half of the experimental animals died within the first 24 hr of this test, with respiratory difficulty, convulsions and general paralysis. No local lesions were found on the skin.

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ 0.04-0.08 mg/L /was administered to rats by inhalation for 2 hr per day /for/ 4 weeks. The rats became sluggish, their threshold of excitability rose, arterial pressure dropped by 10-12 mm, the synthetic functions of their livers decreased, their body weight lagged 12% behind those of the controls and they developed catarrhal-desquamative bronchitis and emphysema.

For more Non-Human Toxicity Excerpts (Complete) data for PHENYLACETONITRILE (6 total), please visit the HSDB record page.

Benzyl cyanide's production and use in organic synthesis as a precursor to penicillin and as a component of tar creosote may result in its release to the environment through various waste streams. As a component of tar creosote benzyl cyanide is released to the environment through various waste streams. Benzyl cyanide has been found in kiwi fruit flowers, and garden cress and other plants. If released to air, a vapor pressure of 0.089 mm Hg at 25 °C indicates benzyl cyanide will exist solely as a vapor in the ambient atmosphere. Vapor-phase benzyl cyanide will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 7.8 days. Benzyl cyanide does not absorb light at wavelengths >290 nm and would not be expected to be susceptible to direct photolysis by sunlight. If released to soil, benzyl cyanide is expected to have moderate mobility based upon an estimated Koc of 170. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 1.4X10-4 atm-cu m/mole. Benzyl cyanide is not expected to volatilize from dry soil surfaces based upon its vapor pressure. Using a Japanese MITI test benzyl cyanide, reached 77% of its theoretical BOD in 2 weeks, indicating that the biodegradation of benzyl cyanide is rapid. If released into water, benzyl cyanide is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 5.7 hours and 6.4 days, respectively. An estimated BCF of 9 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis of the nitrile group may occur although the rate of this reaction is not known. Occupational exposure to benzyl cyanide may occur through inhalation and dermal contact with this compound at workplaces where benzyl cyanide is produced or used. Limited monitoring data indicate that the general population may be exposed to benzyl cyanide via ingestion of certain foods and contaminated drinking water. (SRC)

Benzyl cyanide was detected in kiwi fruit flowers(1), and it occurs in garden cress and other plants(2). Benzyl cyanide has also been found in beef(3) and crab meat(4).

Benzyl cyanide's production and use in organic synthesis as a precusor to penicillin(1) and as a component of tar creosote(2), may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a log Kow of 1.56(2) and a regression-derived equation(3), indicates that benzyl cyanide is expected to have moderate mobility in soil(SRC). Volatilization of benzyl cyanide from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 1.4X10-4 atm-cu m/mole(4) derived from its vapor pressure, 8.9X10-2 mm Hg(5), and water solubility, 100 mg/L(6). Benzyl cyanide is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.9X10-2 mm Hg(SRC), determined from a fragment constant method(5). A 77% theoretical BOD in 2 weeks using an activated sludge inoculum and the MITI test(6) indicates that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a log Kow of 1.56(2) and a regression-derived equation(3), indicates that benzyl cyanide may adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.4X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4) derived from its vapor pressure, 8.9X10-2 mm Hg(5), and water solubility, 100 mg/L(6). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5.7 hours and 6.4 days, respectively(SRC). According to a classification scheme(7), an estimated BCF of 9(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 77% theoretical BOD in 2 weeks using an activated sludge inoculum and the MITI test(6) indicates that biodegradation may be an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzyl cyanide , which has a vapor pressure of 8.9X10-2 mm Hg at 25 °C(SRC)(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase benzyl cyanide is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 7.8 days(SRC), calculated from its rate constant of 2.1X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Benzyl cyanide does not contain chromophores that would be expected to absorb light at wavelengths >290 nm and would not be expected to be susceptible to direct photolysis by sunlight(SRC).

AEROBIC: Benzyl cyanide, present at 100 mg/L, reached 77% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(1). This indicates rapid biodegradation is likely in the environment.

The rate constant for the vapor-phase reaction of benzyl cyanide with photochemically-produced hydroxyl radicals has been estimated as 2.1X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 7.8 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Benzyl cyanide does not contain chromophores that would be expected to absorb light at wavelengths >290 nm and would not be expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 9 was calculated for benzyl cyanide(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC), provided the compound is not metabolized by the organism(SRP).

The Koc of benzyl cyanide is estimated as 170(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzyl cyanide is expected to have moderate mobility in soil.

The Henry's Law constant for benzyl cyanide is estimated as 1.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 8.9X10-2 mm Hg(1), and water solubility, 100 mg/L(2). This Henry's Law constant indicates that benzyl cyanide is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 5.7 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 6.4 days(SRC). Benzyl cyanide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzyl cyanide is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).

DRINKING WATER: Benzyl cyanide was detected, not quantified in treated water samples collected from a UK waste water treatment center taken from March to December, 1976(1); it was not detected in raw water samples(1). Benzyl cyanide was detected, not quantified in raw water treated with chlorine dioxide for disinfectant purposes; the compound being found after several stages of purification(2).

Benzyl cyanide was detected in concentrations ranging from 0.1 ug/kg in the leg to 8 ug/kg in the carapace of steamed crab meat(1). Benzyl cyanide was detected, not quantified in beef(2).

Benzyl cyanide was detected but not quantified in kiwi fruit flowers(1). Benzyl cyanide occurs in garden cress and other plants(2).

Occupational exposure to benzyl cyanide may occur through inhalation and dermal contact with this compound at workplaces where benzyl cyanide is produced or used. (SRC)

Section 12. Ecological Information

Benzyl cyanide's production and use in organic synthesis as a precursor to penicillin and as a component of tar creosote may result in its release to the environment through various waste streams. As a component of tar creosote benzyl cyanide is released to the environment through various waste streams. Benzyl cyanide has been found in kiwi fruit flowers, and garden cress and other plants. If released to air, a vapor pressure of 0.089 mm Hg at 25 °C indicates benzyl cyanide will exist solely as a vapor in the ambient atmosphere. Vapor-phase benzyl cyanide will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 7.8 days. Benzyl cyanide does not absorb light at wavelengths >290 nm and would not be expected to be susceptible to direct photolysis by sunlight. If released to soil, benzyl cyanide is expected to have moderate mobility based upon an estimated Koc of 170. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 1.4X10-4 atm-cu m/mole. Benzyl cyanide is not expected to volatilize from dry soil surfaces based upon its vapor pressure. Using a Japanese MITI test benzyl cyanide, reached 77% of its theoretical BOD in 2 weeks, indicating that the biodegradation of benzyl cyanide is rapid. If released into water, benzyl cyanide is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 5.7 hours and 6.4 days, respectively. An estimated BCF of 9 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis of the nitrile group may occur although the rate of this reaction is not known. Occupational exposure to benzyl cyanide may occur through inhalation and dermal contact with this compound at workplaces where benzyl cyanide is produced or used. Limited monitoring data indicate that the general population may be exposed to benzyl cyanide via ingestion of certain foods and contaminated drinking water. (SRC)

Benzyl cyanide was detected in kiwi fruit flowers(1), and it occurs in garden cress and other plants(2). Benzyl cyanide has also been found in beef(3) and crab meat(4).

Benzyl cyanide's production and use in organic synthesis as a precusor to penicillin(1) and as a component of tar creosote(2), may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a log Kow of 1.56(2) and a regression-derived equation(3), indicates that benzyl cyanide is expected to have moderate mobility in soil(SRC). Volatilization of benzyl cyanide from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 1.4X10-4 atm-cu m/mole(4) derived from its vapor pressure, 8.9X10-2 mm Hg(5), and water solubility, 100 mg/L(6). Benzyl cyanide is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.9X10-2 mm Hg(SRC), determined from a fragment constant method(5). A 77% theoretical BOD in 2 weeks using an activated sludge inoculum and the MITI test(6) indicates that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a log Kow of 1.56(2) and a regression-derived equation(3), indicates that benzyl cyanide may adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.4X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4) derived from its vapor pressure, 8.9X10-2 mm Hg(5), and water solubility, 100 mg/L(6). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5.7 hours and 6.4 days, respectively(SRC). According to a classification scheme(7), an estimated BCF of 9(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 77% theoretical BOD in 2 weeks using an activated sludge inoculum and the MITI test(6) indicates that biodegradation may be an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzyl cyanide , which has a vapor pressure of 8.9X10-2 mm Hg at 25 °C(SRC)(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase benzyl cyanide is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 7.8 days(SRC), calculated from its rate constant of 2.1X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Benzyl cyanide does not contain chromophores that would be expected to absorb light at wavelengths >290 nm and would not be expected to be susceptible to direct photolysis by sunlight(SRC).

AEROBIC: Benzyl cyanide, present at 100 mg/L, reached 77% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(1). This indicates rapid biodegradation is likely in the environment.

The rate constant for the vapor-phase reaction of benzyl cyanide with photochemically-produced hydroxyl radicals has been estimated as 2.1X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 7.8 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Benzyl cyanide does not contain chromophores that would be expected to absorb light at wavelengths >290 nm and would not be expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 9 was calculated for benzyl cyanide(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC), provided the compound is not metabolized by the organism(SRP).

The Koc of benzyl cyanide is estimated as 170(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzyl cyanide is expected to have moderate mobility in soil.

The Henry's Law constant for benzyl cyanide is estimated as 1.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 8.9X10-2 mm Hg(1), and water solubility, 100 mg/L(2). This Henry's Law constant indicates that benzyl cyanide is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 5.7 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 6.4 days(SRC). Benzyl cyanide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzyl cyanide is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).

DRINKING WATER: Benzyl cyanide was detected, not quantified in treated water samples collected from a UK waste water treatment center taken from March to December, 1976(1); it was not detected in raw water samples(1). Benzyl cyanide was detected, not quantified in raw water treated with chlorine dioxide for disinfectant purposes; the compound being found after several stages of purification(2).

Benzyl cyanide was detected in concentrations ranging from 0.1 ug/kg in the leg to 8 ug/kg in the carapace of steamed crab meat(1). Benzyl cyanide was detected, not quantified in beef(2).

Benzyl cyanide was detected but not quantified in kiwi fruit flowers(1). Benzyl cyanide occurs in garden cress and other plants(2).

Occupational exposure to benzyl cyanide may occur through inhalation and dermal contact with this compound at workplaces where benzyl cyanide is produced or used. (SRC)

Section 13. Disposal Considerations

...Combustion in an approved incinerator for a chemical waste.

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Section 14. Transport Information

UN 2470; Phenylacetonitrile, liquid

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.

The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Source: PubChem CID 8794 (NIH/NLM, public domain). Retrieved from PubChem, a public-domain chemistry database maintained by the U.S. National Library of Medicine. Last updated: 2026-08-02 08:52:30.
Disclaimer: This information is compiled for reference only and does not replace the manufacturer's official Safety Data Sheet. Always consult the supplier's SDS before handling any chemical.