Diallyl Sulfide

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1614 reports by companies from 6 notifications to the ECHA C&L Inventory.

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.

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.

Colorless liquid with a garlic odor; [Hawley]

colourless to pale yellow liquid with garlic odour

Colorless liquid

Garlic odor

138.00 to 139.00 °C. @ 760.00 mm Hg

138-139 °C

46.11 °C

Practically insoluble in water. Miscible with alcohol, chloroform, ether, carbon tetrachloride.

insoluble in water; miscible in ethyl alcohol and diethyl ether

(in ethanol)

0.888 at 27 °C/4 °C

0.887-0.892

9.22 [mmHg]

9.22 mm Hg at 25 °C

Index of refraction = 1.4877 at 27 °C/D

1.488-1.492

Boiling point

Heat of sublimation

Optical coefficient

Refractive index

Vapor pressure

Other Classes -> Sulfur Compounds

EU Flavoring substances

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

Fragrance Ingredient (Allyl sulfide) -> IFRA transparency List

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

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

Diallyl sulfide (DAS) and diallyl disulfide (DADS) at 25 ug/mL decreased the benzo[a]pyrene (B[a]P)-induced colony growth inhibition of human epidermal keratinocytes. DAS and DADS decreased B[a]P-DNA and B[a]P-protein adducts by 65% and 49-55%, respectively. The B[a]P-induced ethoxyresorufin O-deethylase activity, a marker enzyme for cytochrome P450 1, was decreased from 3 to 1.7-1.9 nmol/min/mg microsomal protein by DAS and DADS treatments. The activity of glutathione S-transferase, a detoxifying enzyme for B[a]P, ... was decreased by DADS, but was unaffected by DAS

... /The authors/ investigated the mutation preventive properties of ellagic acid, green tea, and diallyl sulfide (DAS) against the mutagenicity of the nitrosamine N-nitrosomethylbenzylamine (NMBA) in the esophagus of the rat. ... The type of mutations induced by two 2-mg/kg sc injections of NMBA in the lacI gene of "Big Blue" rats is consistent with that found previously for nitrosamines in other systems and consists of G:C-->A:T transitions. .... the addition of ellagic acid to the feed, replacing drinking water with green tea, and gavage with DAS significantly reduced the mutagenicity of NMBA. ...

Diallyl sulphide (DAS) is a sulphur-containing volatile compound present in garlic (Allium sativum). It has been shown to inhibit a number of chemically induced forms of cancer in experimental animals. The present study demonstrates the inhibitory effect of DAS on the development of diethylnitrosamine (DEN) initiated and 2-acetyl-aminofluorene (2-AAF) promoted preneoplastic altered hepatic foci (AHF) in Wistar rats. AHF were scored and analysed by quantitative stereology using the Image Analysis system from frozen liver sections stained for biological markers, namely glutathione S-transferase, placental form (GST-P), gamma-glutamyl transpeptidase (GGT), adenosine triphosphatase (ATPase), glucose-6-phosphatase (G6 Pase) and alkaline phosphatase (AlkPase). DAS-supplemented rats were found to restore the near-normal levels of enzymes GST-P and GGT when exposed to DEN and 2-AAF. DAS administration following DEN and 2-AAF exposure led to the restoration of enzymic activity of ATPase, G6 Pase and AlkPase, as evident by number and area of the foci. These findings suggest the protective role of DAS in rat hepatocarcinogenesis ...

Gentamicin (GM) is an antibiotic whose clinical use is limited by its nephrotoxicity. Experimental evidences suggest a role of reactive oxygen species in GM-induced nephrotoxicity. ...This work ... explored the effect of diallyl sulfide (DAS) ... on GM-induced nephrotoxicity. Four groups of rats were studied: (1) Control, treated intragastrically with olive oil as a vehicle, (2) GM, treated subcutaneously with GM (125 mg/kg/day for 4 days), (3) DAS, treated intragastrically with DAS (50 mg/kg/day for 4 days), and (4) GM + DAS. Nephrotoxicity was made evident by: (1) the increase in creatinine and blood urea nitrogen in serum, (2) the increase in urinary excretion of N-acetyl-beta-D-glucosaminidase and total protein, and (3) necrosis of proximal tubular cells. These functional and structural alterations were prevented or ameliorated by DAS treatment. In addition, GM increased levels of renal oxidative stress markers nitrotyrosine and protein carbonyl groups which were also ameliorated by DAS in GM + DAS group. The mechanism by which DAS has a protective effect on GM-induced nephrotoxicity may be related, at least in part, to the decrease in oxidative stress in renal cortex.

For more Interactions (Complete) data for ALLYL SULFIDE (12 total), please visit the HSDB record page.

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock 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 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as 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 ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/

/OTHER TOXICITY INFORMATION/ Two components of garlic, diallyl sulfide (DAS) and diallyl disulfide (DADS), inhibited arylamine N-acetyltransferase (NAT) activity and 2-aminofluorene-DNA adduct in human promyelocytic leukemia cells (HL-60). The NAT activity was measured by high performance liquid chromatography assaying for amounts of N-acetyl-2-aminofluorene (2-AAF) and remaining 2-aminofluorene (2-AF). Cellular cytosols and intact cell suspensions were assayed. The inhibition of NAT activity and 2-AF-DNA adduct formation in human leukemia cells by DAS and DADS were dose-dependent and were directly proportional. The data also indicated that DAS and DADS decrease the apparent values of Km and Vmax from human leukemia cells in both assays. This is the first report of garlic components affecting human leukemia cell NAT activity and 2-AF-DNA adduct formation.

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Effects of administration of diallyl sulfide (DAS) and diallyl disulfide (DADS) on the promotion stage of hepatocarcinogenesis were investigated in rats using the Ito model. They were compared with those of phenobarbital (PB), a well-known liver promoter in rats. Initiation was induced by a single dose of N-nitrosodiethylamine (NDEA) and 3 weeks later, a partial hepatectomy was conducted. Two weeks after the NDEA injection, rats received either 0.05% allyl sulfides, PB or both in their diet for 8 weeks. Feeding with DAS increased the number of liver preneoplastic foci by 63% with respect to the untreated group. However, rats fed DAS showed a lower foci development than rats fed PB. The DADS group did not differ from control group for any of the measured morphometric parameters. Simultaneous administration of DADS with PB partially reduced the promotional activity of PB whereas DAS co-treatment did not modify PB properties. These findings confirm that DAS can act as a promoter in rat liver but exerts no co-promoting effect. Conversely, DADS was found to have promotion-inhibiting ability, suggesting that DADS has greater value than DAS as a chemopreventive agent.

/GENOTOXICITY/ In a previous study, we showed that naturally occurring organosulfur compounds (OSCs) from garlic and onion modulated the activation of carcinogen via the alteration of cytochromes P450. The present study was undertaken to determine the incidence of the in vivo induction of phase II enzymes by individual OSCs on the genotoxicity of several carcinogens. Diallyl sulfide (DAS), diallyl disulfide (DADS), dipropyl sulfide (DPS) and dipropyl disulfide (DPDS), were administered by gavage (1 mol/kg) to male SPF Wistar rats for 4 consecutive days. The effects of treatments on phase II enzymes and on the genotoxicity of carcinogens were evaluated with hepatic cytosols and microsomes from OSCs-treated rats. DADS strongly increased all the phase II enzymes activities examined, i.e. total glutathione S-transferase (GST) activity, mu GST activity, quinone reductase (QR) activity and epoxide hydrolase (EH) activity. In addition, DADS strongly increased the protein level of rGSTP1. QR activity, total and mu GST activities were also increased by DAS and DPDS whereas DPS increased only mu GST activity and QR activity. To assess the repercussions of these inductions on the genotoxicity of carcinogens, the effects of cytosols or microsomes from OSCs-treated rats on the mutagenicity of (+)-anti-7beta,8alpha-dihydroxy-9alpha,10alpha-oxy-7,8,9,10-tetrahydrobenzo[a]pyrene (BPDE), styrene oxide (SO) and 4-nitroquinoline 1-oxide (4-NQO) were measured in the Ames test. DADS showed a very effective antimutagenic activity against BPDE, SO and 4-NQO. DAS reduced the mutagenicity of BPDE and SO. In contrast, DPS and DPDS showed little efficient antimutagenic activity since they only reduced the mutagenicity of BPDE and 4-NQO, respectively. Interestingly, DADS appeared to be as effective as ethoxyquin, a model inducer of phase II enzymes, in both inducing phase II enzymes and inhibiting the mutagenicity of carcinogens. This study demonstrated that the antimutagenic activities of OSCs against several ultimate carcinogens were closely related to their ability to induce phase II enzymes. /Organosulfur compounds/

/ALTERNATIVE IN VITRO STUDIES/ Garlic and Cruciferae are associated with reduced risks of several human cancers, and some of their constituents are anticarcinogenic in animals. Here we studied inhibition of in vitro metabolism of the rat esophageal carcinogen methyl-n-pentylnitrosamine (MPN) by garlic-derived allyl sulfides and by Cruciferae-derived phenethyl isothiocyanate (PEITC) and sulforaphane. The test inhibitors were incubated with [3H]-MPN, NADPH-generating system and rat esophageal microsomes (REM) or a cytochrome P450 (CYP). [3H]-MPN activation by depentylation was assayed by HPLC with radiometric determination of [3H]-pentaldehyde 2,4-dinitrophenylhydrazone. IC50 for depentylation of 40 microM MPN by rat CYP2E1 was 5-12 microM for diallyl sulfide (DAS), diallyl disulfide (DADS), and PEITC and 10-20 microM for diallyl sulfone, allyl mercaptan, and diallyl trisulfide. Maximum inhibition required preincubation of rat CYP2E1 with DAS for 15 min and with DADS for 30 min. Using these preincubation times, Ki for MPN depentylation by REM, rat and human CYP2E1, and rat CYP2A3 was 0.6-1.6 microM for inhibition by DAS and 1.7-70 microM for inhibition by DADS. With PEITC, Ki for MPN depentylation by REM, rat CYP2E1, and rat CYP2A3 was 0.4-4.6 microM. These low Ki and IC50 values may help explain how garlic and Cruciferae inhibit carcinogenesis.

/ALTERNATIVE IN VITRO STUDIES/ /The authors/ previously described that garlic oil derivatives differentially suppress the production of nitric oxide (NO) and prostaglandin E(2) (PGE(2)) in activated macrophages. In the present study, /they/ investigated the effects of the garlic derivatives, diallyl sulfide (DAS), diallyl disulfide (DADS), and allyl methyl sulfide (AMS), on cytokine production in lipopolysaccharide (LPS)-stimulated RAW 264.7 cells, and the association between modulation of cytokines and inhibition of NO production was also assessed. The results indicated that these garlic compounds had different effects on the secretion of activated cytokines, including proinflammatory tumor necrosis factor-alpha (TNF-alpha), interleukin (IL)-1beta, and IL-6, as well as the antiinflammatory, IL-10. DAS inhibited the production of all stimulated cytokines in a concentration-dependent manner, and the inhibition was closely associated with the suppression of NO and PGE(2) production. DADS repressed the production of stimulated TNF-alpha and IL-10 and increased the production of activated IL-1beta and, to a lesser extent, IL-6; but only the decreased IL-10 production was associated with DADS-induced NO inhibition. Yet, the DAS- and DADS-suppressed NO production was independent of TNF-alpha. AMS, on the other hand, slightly suppressed the stimulated TNF-alpha but enhanced IL-10 production, and such modulation was closely associated with the decrease in NO production.

For more Non-Human Toxicity Excerpts (Complete) data for ALLYL SULFIDE (8 total), please visit the HSDB record page.

Allyl sulfide's production and use as a flavoring, specifically as a component of artificial oil of garlic, may result in its release to the environment through various waste streams. It is a plant volatile from Allium ursinum (broad-leaved garlic), a ground cover. If released to air, a vapor pressure of 9.22 mm Hg at 25 °C indicates allyl sulfide will exist solely as a vapor in the ambient atmosphere. Vapor-phase allyl sulfide 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 11 hours. Allyl sulfide does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight. If released to soil, allyl sulfide is expected to have moderate mobility based upon an estimated Koc of 270. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 1.3X10-3 atm-cu m/mole. Allyl sulfide may volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation data were not available. If released into water, allyl sulfide 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 4 hours and 4 days, respectively. An estimated BCF of 20 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 allyl sulfide may occur through inhalation and dermal contact with this compound at workplaces where allyl sulfide is produced or used. Monitoring data indicate that the general population may be exposed to allyl sulfide via inhalation of ambient air, ingestion of garlic, and dermal contact with this compound and other consumer products containing allyl sulfide. (SRC)

Allyl sulfide is a volatile from Allium ursinum (broad-leaved garlic), a ground cover(1).

Allyl sulfide's production and use as a flavoring(1), specifically as a component of artificial oil of garlic 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 270(SRC), determined from a structure estimation method(2), indicates that allyl sulfide is expected to have moderate mobility in soil(SRC). Volatilization of allyl sulfide from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.3X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Allyl sulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.22 mm Hg(4). Biodegradation data were not avilable(SRC, 2005).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 270(SRC), determined from a structure estimation method(2), indicates that allyl sulfide is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.3X10-3 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 4 hours and 4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 20(SRC), from an estimated log Kow of 2.6(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegadation data were not available(SRC, 2005).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), allyl sulfide, which has a vapor pressure of 9.22 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase allyl sulfide 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 5 hours(SRC), calculated from its rate constant of 6.9X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Allyl sulfide does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of allyl sulfide with photochemically-produced hydroxyl radicals has been estimated as 6.9X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The rate constant for the vapor-phase reaction of allyl sulfide with ozone has been estimated as 2.4X10-17 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(1). This corresponds to an atmospheric half-life of about 11 hours at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(3). Allyl sulfide is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(4). Allyl sulfide does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 20 was calculated for allyl sulfide(SRC), using an estimated log Kow of 2.6(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 allyl sulfide can be estimated to be 270(SRC). According to a classification scheme(2), this estimated Koc value suggests that allyl sulfide is expected to have moderate mobility in soil.

The Henry's Law constant for allyl sulfide is estimated as 1.3X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that allyl sulfide 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 4 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 4 days(SRC). Allyl sulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Allyl sulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.22 mm Hg(3).

Emission rates of allyl sulfide from Allium ursinum (broad-leaved garlic) ground cover sampled in a suburban forest park of Vienna, Austria on May 13, 1994 was 10 ug/sq m-hr(1).

URBAN/SUBURBAN: Allyl sulfide was detected in the ambient air of a beech forest with Allium ursinum (broad-leaved garlic) ground cover at a concentration of not detected (detection limit <1.0 ppbC) to 370 parts per trillion, average 120 parts per trillion, sampled in a suburban forest park of Vienna Austria, May 13, 1994(1). The Allium plants were shown to be the source of the organic sulfur compounds(1).

Allyl sulfide was identified as one of the volatile compounds from stir-fried garlic, at the following concentrations (mg/100 g garlic, % composition): raw garlic, distilled without soybean oil - 1.04 (0.64); raw garlic, distilled with soybean oil - 0.12 (0.10); stir-fired garlic, 0.12 (0.80)(1). The compound has been identified as a beef volatile(2).

Occupational exposure to allyl sulfide may occur through inhalation and dermal contact with this compound at workplaces where allyl sulfide is produced or used. Monitoring data indicate that the general population may be exposed to allyl sulfide via inhalation of ambient air, ingestion of garlic, and dermal contact with this compound and other consumer products containing allyl sulfide. (SRC)

Allyl sulfide's production and use as a flavoring, specifically as a component of artificial oil of garlic, may result in its release to the environment through various waste streams. It is a plant volatile from Allium ursinum (broad-leaved garlic), a ground cover. If released to air, a vapor pressure of 9.22 mm Hg at 25 °C indicates allyl sulfide will exist solely as a vapor in the ambient atmosphere. Vapor-phase allyl sulfide 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 11 hours. Allyl sulfide does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight. If released to soil, allyl sulfide is expected to have moderate mobility based upon an estimated Koc of 270. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 1.3X10-3 atm-cu m/mole. Allyl sulfide may volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation data were not available. If released into water, allyl sulfide 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 4 hours and 4 days, respectively. An estimated BCF of 20 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 allyl sulfide may occur through inhalation and dermal contact with this compound at workplaces where allyl sulfide is produced or used. Monitoring data indicate that the general population may be exposed to allyl sulfide via inhalation of ambient air, ingestion of garlic, and dermal contact with this compound and other consumer products containing allyl sulfide. (SRC)

Allyl sulfide is a volatile from Allium ursinum (broad-leaved garlic), a ground cover(1).

Allyl sulfide's production and use as a flavoring(1), specifically as a component of artificial oil of garlic 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 270(SRC), determined from a structure estimation method(2), indicates that allyl sulfide is expected to have moderate mobility in soil(SRC). Volatilization of allyl sulfide from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.3X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Allyl sulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.22 mm Hg(4). Biodegradation data were not avilable(SRC, 2005).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 270(SRC), determined from a structure estimation method(2), indicates that allyl sulfide is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.3X10-3 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 4 hours and 4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 20(SRC), from an estimated log Kow of 2.6(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegadation data were not available(SRC, 2005).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), allyl sulfide, which has a vapor pressure of 9.22 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase allyl sulfide 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 5 hours(SRC), calculated from its rate constant of 6.9X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Allyl sulfide does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of allyl sulfide with photochemically-produced hydroxyl radicals has been estimated as 6.9X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The rate constant for the vapor-phase reaction of allyl sulfide with ozone has been estimated as 2.4X10-17 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(1). This corresponds to an atmospheric half-life of about 11 hours at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(3). Allyl sulfide is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(4). Allyl sulfide does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 20 was calculated for allyl sulfide(SRC), using an estimated log Kow of 2.6(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 allyl sulfide can be estimated to be 270(SRC). According to a classification scheme(2), this estimated Koc value suggests that allyl sulfide is expected to have moderate mobility in soil.

The Henry's Law constant for allyl sulfide is estimated as 1.3X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that allyl sulfide 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 4 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 4 days(SRC). Allyl sulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Allyl sulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.22 mm Hg(3).

Emission rates of allyl sulfide from Allium ursinum (broad-leaved garlic) ground cover sampled in a suburban forest park of Vienna, Austria on May 13, 1994 was 10 ug/sq m-hr(1).

URBAN/SUBURBAN: Allyl sulfide was detected in the ambient air of a beech forest with Allium ursinum (broad-leaved garlic) ground cover at a concentration of not detected (detection limit <1.0 ppbC) to 370 parts per trillion, average 120 parts per trillion, sampled in a suburban forest park of Vienna Austria, May 13, 1994(1). The Allium plants were shown to be the source of the organic sulfur compounds(1).

Allyl sulfide was identified as one of the volatile compounds from stir-fried garlic, at the following concentrations (mg/100 g garlic, % composition): raw garlic, distilled without soybean oil - 1.04 (0.64); raw garlic, distilled with soybean oil - 0.12 (0.10); stir-fired garlic, 0.12 (0.80)(1). The compound has been identified as a beef volatile(2).

Occupational exposure to allyl sulfide may occur through inhalation and dermal contact with this compound at workplaces where allyl sulfide is produced or used. Monitoring data indicate that the general population may be exposed to allyl sulfide via inhalation of ambient air, ingestion of garlic, and dermal contact with this compound and other consumer products containing allyl sulfide. (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.