Benzyl mercaptan

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H319 (94.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1599 reports by companies from 12 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.

H227: Combustible liquid [Warning Flammable liquids]

H302: Harmful if swallowed [Warning Acute toxicity, oral]

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

H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

P210, P260, P261, P264, P270, P271, P280, P284, P301+P317, P304+P340, P316, P319, P320, P330, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

To fight fire use foam, carbon dioxide, dry chemical.

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.

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.

In general, materials which are toxic as stored or which can decompose into toxic components ... should be stored in a cool, well-ventilated place, out of direct rays of the sun, away from areas of high fire hazard, and should be periodically inspected... Incompatible materials should be isolated from each other.

Cream to white solid; [Hawley] Colorless liquid; [Merck Index] Colorless liquid; [MSDSonline]

colourless or pale-straw-colored mobile liquid with repulsive garlic-like odour

Colorless liquid

Water-white, mobile liquid

Repulsive, garlic-like odor

Odor of leek

FLAVOR THRESHOLD VALUES OF BENZYL MERCAPTAN IN WATER: 1.0 UG/L. /FROM TABLE/

194-195 °C

194.00 to 195.00 °C. @ 760.00 mm Hg

158 °F (70 °C)(Closed cup)

Slightly soluble in carbon tetrachloride; soluble in carbon disulfide; very soluble in ethanol and ether

insoluble in water; soluble in oils

1 ml in 1 ml 95% alcohol (in ethanol)

1.058 at 20 °C

1.050-1.058

4.28 (Air= 1)

0.47 [mmHg]

When heated to decomposition and on contact with acid or acid fumes it emits highly toxic fumes of /sulfur oxides/.

Odor Threshold Low: 0.0026 [ppm]

Odor Threshold High: 0.04 [ppm]

Odor threshold from CHEMINFO

Its odor threshold is 2.6 ppb; human nasal irritation starts at 4.5 ppm and eye irritation at 7.5 ppm.

Threshold of odor detection... 0.03 mg/cu m for benzyl mercaptan... .

Index of refraction = 1.5751 at 20 °C/D

1.573-1.578

VAP: 71.8 mm Hg at 120.766 °C (observed)

Can react vigorously with oxidizing materials and oxidizes in air to dibenzyl disulfide.

Boiling point

Diamagnetic susceptibility

Dielectric constant

Heat of sublimation

Magnetic susceptibility

Optical coefficient

Refractive index

Vapor pressure

Other Classes -> Thiols

EU Flavoring substances

FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Can react vigorously with oxidizing materials.

Oxidizes in air to dibenzyl disulfide.

Other Poison - Chemical Asphyxiant

Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

LC50 (rat) > 235 ppm/4h

LD50 Rat oral 493 mg/kg

LD50 Rat ip 373 mg/kg

LD50 Mouse ip 100 mg/kg

LC50 Mouse inhalation 178 ppm/4 hr

LC50 Rat inhalation >235 ppm/4 hr

/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 m1/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Administer activated charcoal ... . Cover skin burns with dry sterile dressings after decontamination ... . /Sulfur and related compounds/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Early intubation at the first sign of upper airway obstruction may be necessary. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors for hypotension with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Sulfur and related compounds/

/SIGNS AND SYMPTOMS/ Can cause mild irritation to mucous membranes.

/LABORATORY ANIMALS: Acute Exposure/ alpha-Toluenethiol rated 1 /(slight irritation)/ on rabbit eyes. ...Tested externally on eyes of rabbits and have been rated numerically on a scale of 1-10 according to degree of injury observed after 24 hr, paying particular attention to condition of cornea. Most severe injuries have been rated 10.

/LABORATORY ANIMALS: Acute Exposure/ ... A concentration of 17 mg/L (3347 ppm) was lethal to mice in 30 min, and a concentration of 6.3 mg/L (1240 ppm) was lethal in 2 hr.

/LABORATORY ANIMALS: Acute Exposure/ Clinical signs /of toxicity in male Wistar rats and Swiss mice exposed for 4 hr to/... several thiols /including benzyl mercaptan, 97% pure at doses of 58, 98, 130, 145, 185, and 235 ppm/ tested by inhalation: - Maximal sublethal and lethal concentrations induced characteristic symptoms of toxicity, i.e. increased respiration and restlessness (hyperactivity in mice), incoordinated movement and staggering gait, muscular weakness, partial skeletal muscle paralysis beginning in the hind limbs, light to severe cyanosis, tolerance of prone position, and mild to heavy sedation. - Fatal Responses usually followed one of two patterns: (1) animals exposed to maximal lethal concentrations died from respiratory arrest while in or shortly after removal from the chamber, and (2) those animals exposed to minimal lethal concentrations died while in a semiconscious condition of long duration. - The aromatic thiols induced some lethargy and sedation which was quickly terminated upon exposure to normal atmosphere. - Most of the thiols were irritating to the mucus membranes within approximately 15 minutes after exposure to high concentrations as evidenced by their rubbing of the eyes and nose, eye closure, occasional sneezing, watering of the eyes, and retracting of the head. /Aliphatic and Aromatic Thiols (Mercaptans)/

/LABORATORY ANIMALS: Acute Exposure/ /Benzyl mercaptan, 99.3% pure (sample contained 0.04% Dibenzylsulphide and 0.13% Dibenzyldisulphide)/... was applied in its original form to the dorsal area skin (10% surface area) of one group of 10 Sprague-Dawley rats (5 males and 5 females) at a dose of 2000 mg/kg. The test site was then covered by semi-occlusive dressing for 24 hours. Clinical signs, mortality and body weight gain were checked for a period of 14 days following the single administration of the test substance. ...No clinical signs and no cutaneous reactions were observed during the study. General behavior and body weight was not affected. Macroscopic examination of the main organs of the animals revealed no apparent abnormalities.

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

EC50 Daphnia magna straus (Waterflea, age <24 hr; immobilization) 0.26 mg/L/24 hr (95% confidence interval: 0.079-0.51 mg/L); static, temperature 19.5-20.5 °C, dissolved oxygen >2 mg/L, pH 7.97-8.17 /99.45% pure Benzyl mercaptan/

EC50 Daphnia magna straus (Waterflea, age <24 hr; immobilization) 0.15 mg/L/48 hr; static, temperature 19.5-20.5 °C, dissolved oxygen >2 mg/L, pH 7.97-8.17 /99.45% pure Benzyl mercaptan/

Benzyl mercaptan's production and use as an odorant and in flavors and chemical intermediate in the product of pesticide may result in its release to the environment through various waste streams. It occurs in coffee. If released to air, an estimated vapor pressure of 0.47 mm Hg at 25 °C indicates benzyl mercaptan will exist solely as a vapor in the ambient atmosphere. Vapor-phase benzyl mercaptan 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 9 hours. Benzyl mercaptan does contain chromophores that absorb at wavelengths >290 nm and therefore is expected to be susceptible to direct photolysis by sunlight. If released to soil, benzyl mercaptan is expected to have low mobility based upon an estimated Koc of 520. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 2.1X10-4 atm-cu m/mole. Benzyl mercaptan is not expected to volatilize from dry soil surfaces based upon its vapor pressure. If released into water, benzyl mercaptan is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Biodegradation data were not available. 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 8 hours and 6 days, respectively. An estimated BCF of 16 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. Occupational exposure to benzyl mercaptan may occur through inhalation and dermal contact with this compound at workplaces where benzyl mercaptan is produced or used. Use data indicate that the general population may be exposed to benzyl mercaptan ingestion of food products containing benzyl mercaptan as a flavoring. (SRC)

NATURALLY OCCURS IN COFFEE.

...BENZYL MERCAPTAN, WHICH ORIGINATES FROM A WEED (LAND CRESS), SOMETIMES PRESENT IN GRASSLAND.

Benzyl mercaptan's production and use as an odorant and in flavors(1) and chemical intermediate in the product of pesticides(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 520(SRC), determined from a structure estimation method(2), indicates that benzyl mercaptan is expected to have low mobility in soil(SRC). Volatilization of benzyl mercaptan from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.1X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Benzyl mercaptan is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.47 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2005).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 520(SRC), determined from a structure estimation method(2), indicates that benzyl mercaptan is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a estimated Henry's Law constant of 2.1X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 8 hours and 6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 16(SRC), from an estimated log Kow of 2.5(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2005).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzyl mercaptan, which has an estimated vapor pressure of 0.47 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase benzyl mercaptan 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 9 hours(SRC), calculated from its rate constant of 4.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Benzyl mercaptan does contain chromophores that absorb at wavelengths >290 nm and therefore is expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of benzyl mercaptan with photochemically-produced hydroxyl radicals has been estimated as 4.5X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 9 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Benzyl mercaptan is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2). Benzyl mercaptan does contain chromophores that absorb at wavelengths >290 nm and therefore is expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 16 was calculated for benzyl mercaptan(SRC), using an estimated log Kow of 2.48(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).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzyl mercaptan can be estimated to be 520(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzyl mercaptan is expected to have low mobility in soil.

The Henry's Law constant for benzyl mercaptan is estimated as 2.1X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that benzyl mercaptan is expected to volatilize from water surfaces(2). 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)(2) is estimated as 8 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)(2) is estimated as 6 days(SRC). Benzyl mercaptan is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.47 mm Hg(SRC), determined from a fragment constant method(3).

Occupational exposure to benzyl mercaptan may occur through inhalation and dermal contact with this compound at workplaces where benzyl mercaptan is produced or used. Use data indicate that the general population may be exposed to benzyl mercaptan ingestion of food products containing benzyl mercaptan as a flavoring. (SRC)

EC50 Daphnia magna straus (Waterflea, age <24 hr; immobilization) 0.26 mg/L/24 hr (95% confidence interval: 0.079-0.51 mg/L); static, temperature 19.5-20.5 °C, dissolved oxygen >2 mg/L, pH 7.97-8.17 /99.45% pure Benzyl mercaptan/

EC50 Daphnia magna straus (Waterflea, age <24 hr; immobilization) 0.15 mg/L/48 hr; static, temperature 19.5-20.5 °C, dissolved oxygen >2 mg/L, pH 7.97-8.17 /99.45% pure Benzyl mercaptan/

Benzyl mercaptan's production and use as an odorant and in flavors and chemical intermediate in the product of pesticide may result in its release to the environment through various waste streams. It occurs in coffee. If released to air, an estimated vapor pressure of 0.47 mm Hg at 25 °C indicates benzyl mercaptan will exist solely as a vapor in the ambient atmosphere. Vapor-phase benzyl mercaptan 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 9 hours. Benzyl mercaptan does contain chromophores that absorb at wavelengths >290 nm and therefore is expected to be susceptible to direct photolysis by sunlight. If released to soil, benzyl mercaptan is expected to have low mobility based upon an estimated Koc of 520. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 2.1X10-4 atm-cu m/mole. Benzyl mercaptan is not expected to volatilize from dry soil surfaces based upon its vapor pressure. If released into water, benzyl mercaptan is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Biodegradation data were not available. 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 8 hours and 6 days, respectively. An estimated BCF of 16 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. Occupational exposure to benzyl mercaptan may occur through inhalation and dermal contact with this compound at workplaces where benzyl mercaptan is produced or used. Use data indicate that the general population may be exposed to benzyl mercaptan ingestion of food products containing benzyl mercaptan as a flavoring. (SRC)

NATURALLY OCCURS IN COFFEE.

...BENZYL MERCAPTAN, WHICH ORIGINATES FROM A WEED (LAND CRESS), SOMETIMES PRESENT IN GRASSLAND.

Benzyl mercaptan's production and use as an odorant and in flavors(1) and chemical intermediate in the product of pesticides(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 520(SRC), determined from a structure estimation method(2), indicates that benzyl mercaptan is expected to have low mobility in soil(SRC). Volatilization of benzyl mercaptan from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.1X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Benzyl mercaptan is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.47 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2005).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 520(SRC), determined from a structure estimation method(2), indicates that benzyl mercaptan is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a estimated Henry's Law constant of 2.1X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 8 hours and 6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 16(SRC), from an estimated log Kow of 2.5(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2005).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzyl mercaptan, which has an estimated vapor pressure of 0.47 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase benzyl mercaptan 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 9 hours(SRC), calculated from its rate constant of 4.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Benzyl mercaptan does contain chromophores that absorb at wavelengths >290 nm and therefore is expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of benzyl mercaptan with photochemically-produced hydroxyl radicals has been estimated as 4.5X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 9 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Benzyl mercaptan is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2). Benzyl mercaptan does contain chromophores that absorb at wavelengths >290 nm and therefore is expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 16 was calculated for benzyl mercaptan(SRC), using an estimated log Kow of 2.48(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).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzyl mercaptan can be estimated to be 520(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzyl mercaptan is expected to have low mobility in soil.

The Henry's Law constant for benzyl mercaptan is estimated as 2.1X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that benzyl mercaptan is expected to volatilize from water surfaces(2). 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)(2) is estimated as 8 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)(2) is estimated as 6 days(SRC). Benzyl mercaptan is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.47 mm Hg(SRC), determined from a fragment constant method(3).

Occupational exposure to benzyl mercaptan may occur through inhalation and dermal contact with this compound at workplaces where benzyl mercaptan is produced or used. Use data indicate that the general population may be exposed to benzyl mercaptan ingestion of food products containing benzyl mercaptan as a flavoring. (SRC)

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.