Allyl propyl disulfide

148.29

148.29

218-550-7

0167D73R1T

1422

1993

DTXSID8024448

Liquid|Pale-yellow liquid

2930909090

50.6

3.70 (est)

Allyl propyl disulfide is a clear pale yellow liquid with a pungent odor. (NTP, 1992)

0.9 g/cm³

-15 °C

78-80 °C @ Press: 13 Torr

56 °C

1.517

H2O: Insoluble . <0.1 g/100 mL at 20 ºC

Refrigerator

Vapour pressure, Pa at 20°C: 50

Relative vapour density (air = 1): 5.1

Reference value: Oral-rat LD50: 2980 mg/kg

Near fire, flammable in the presence of heat and oxidants; burning produces toxic sulfur oxide fumes

Above 56 deg C explosive vapor/air mixtures may be formed.

Pungent, irritating odor

TASTE LIKE THAT OF COOKED ONIONS

Henry's Law constant = 2.8X10-3 atm-cu-m/mole at 25 °C (est)

Hydroxyl radical reaction rate constant = 2.7X10-10 cu cm/molecule-sec at 25 °C (est)|Ozone reaction rate constant = 1.2X10-17 cu cm/molecule-sec at 25 °C (est)

Insoluble in water.

Sulfides, Organic

ALLYL PROPYL DISULFIDE may react vigorously with strong oxidizing agents. Incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. May liberate hydrogen sulfide upon decomposition or reaction with an acid.

Combustible Liquid

III

3.2

1993

36

26

JO0350000

Xi

Treasury is ventilated, low temperature and dry; stored separately from food materials

P210, P233, P240, P241, P242, P243, P261, P264, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P333+P313, P337+P313, P363, P370+P378, P403+P233, P403+P235, P405, P501

H226

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.

Can react with oxidizing materials

This chemical is combustible. (NTP, 1992)|Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 56 °C explosive vapour/air mixtures may be formed.

|Warning|H315 (96.81%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 94 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P333+P313, P337+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck 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, 2016)

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Skin: No recommendation is made specifying the need for personal protective equipment for the body. Eyes: Wear appropriate eye protection to prevent eye contact. Wash skin: No recommendation is made specifying the need for washing the substance from the skin (either immediately or at the end of the work shift). Remove: Work clothing that becomes wet or significantly contaminated should be removed and replaced. Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. (NIOSH, 2016)|Wear appropriate eye protection to prevent eye contact.|(See protection codes)

Combustible.|Moderate

Above 56 °C explosive vapor/air mixtures may be formed.

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

Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent and remove to safe place. Chemical protection suit including self-contained breathing apparatus.

Work clothing that becomes wet or significantly contaminated should be removed and replaced.|/To prevent inhalation exposure use/ ventilation, local exhaust, or breathing protection. /from table/|/To prevent skin exposure use/ protective gloves. /Should exposure occur,/ remove contaminated clothes. Rinse and then wash skin with water and soap. /from table/|/To prevent eye exposure use/ safety goggles, or eye protection in combination with breathing protection. /Should exposure occur,/ first rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor. /from table/|Do not eat, drink, or smoke during work. /from table/

Irritation to the eyes, nose, and throat,,, were most pronounced... /at/ an average concentration of 3.4 ppm... .

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 2 ppm (12 mg/cu m).

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 2 ppm (12 mg/cu m).|Recommended Exposure Limit: 15 Min Short-Term Exposure Limit: 3 ppm (18 mg/cu m).

Personal protection: chemical protection suit including self-contained breathing apparatus. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Separated from oxidants.

A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.

The substance is irritating to the eyes, skin and respiratory tract.

NO open flames. Above 56 °C use a closed system and ventilation.

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety goggles or eye protection in combination with breathing protection.

SOURCE DOMINATED: A study of household waste in Denmark evaluated the volatile components collected from the head space of sanitation collection trucks; allyl propyl disulfide was identified as a volatile organic constituent in an unspecified amount(1).

moderately toxic

Allyl propyl disulfide is the chief volatile constituent in onion oil(1).

Allyl propyl disulfide's production and use as a synthetic flavor and food additive(1) may result in its release to the environment through various waste streams.

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 500(SRC), determined from a structure estimation method(2), indicates that allyl propyl disulfide is expected to have moderate mobility in soil(SRC). Volatilization of allyl propyl disulfide from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.7X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Allyl propyl disulfide is expected to slowly volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.39 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 500(SRC), determined from a structure estimation method(2), indicates that allyl propyl disulfide is not 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 2.7X10-3 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 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 140(SRC), from an estimated log Kow of 3.70(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high(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), allyl propyl disulfide, which has an estimated vapor pressure of 0.39 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 allyl propyl disulfide 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 1.4 hours(SRC), calculated from its rate constant of 2.7X10-10 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Allyl propyl disulfide 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 propyl disulfide with photochemically-produced hydroxyl radicals has been estimated as 2.7X10-10cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 1.4 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The rate constant for the vapor-phase reaction of allyl propyl disulfide with ozone has been estimated as 1.2X10-17 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 23 hours at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(2). Allyl propyl disulfide is not expected to undergo hydrolysis due to the lack of functional groups that hydrolyze under environmental conditions(3). Allyl propyl disulfide does not contain a chromophore that absorbs at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 140 was calculated for allyl propyl disulfide(SRC), using an estimated log Kow of 3.70 (1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of allyl propyl disulfide can be estimated to be 500(SRC). According to a classification scheme(2), this estimated Koc value suggests that allyl propyl disulfide is expected to have moderate mobility in soil.

The Henry's Law constant for allyl propyl disulfide is estimated as 2.8X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that allyl propyl disulfide is expected to volatilize rapidly 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 5 days(SRC). Allyl propyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Allyl propyl disulfide is expected to slowly volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.39 mm Hg(SRC), determined from a fragment constant method(3).

In a 1995 Japanese study of stir-fried garlic, the volatile extracts contained 0.27% allyl propyl disulfide(1). A similar study of raw garlic in 1989 found that the oil extracts contained 5.53-6.77X10-6 g/g garlic bulb and volatile water extracts contained 0.10-0.27X10-6 g/g garlic bulb(2).

Occupational exposure to allyl propyl disulfide occurs in the processing of onions and onion products and in the processing of foods using the substance as a flavoring(1). Monitoring and use data indicate that the general population may be exposed to allyl propyl disulfide via ingestion of food products containing allyl propyl disulfide(SRC).

The substance can be absorbed into the body by inhalation and by ingestion.

Exposure Routes: inhalation, ingestion, skin and/or eye contact Symptoms: Irritation eyes, nose, respiratory system; lacrimation (discharge of tears) Target Organs: Eyes, respiratory system (NIOSH, 2016)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)|(See procedures)

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

/HUMAN EXPOSURE STUDIES/ Concentrations of allyl propyl disulfide were measured in an onion dehydrating plant ... Irritation to the eyes, nose, and throat occurred at various operations evolving onion oil, but were most pronounced ... where an average concentration of 3.4 ppm was found.|/HUMAN EXPOSURE STUDIES/ Administration of allyl propyl disulfide to six normal volunteers after a 12-hr fast caused a significant fall in the blood glucose levels and a significant rise in the serum insulin levels during the subsequent 4 hr.|/OTHER TOXICITY INFORMATION/ Allyl propyl disulfide ... is said to be one of the principal volatile substances in onion which irritate the eyes and cause lacrimation.

allyl propyl disulfide

The substance can be absorbed into the body by inhalation and by ingestion.|inhalation, ingestion, skin and/or eye contact

irritation eyes, nose, respiratory system; lacrimation (discharge of tears)

Burning sensation. Cough. Chest tightness. Nausea. Vomiting.

Burning sensation. Redness.

Redness. Pain. Watering of the eyes.

Eyes, respiratory system

Reported uses: in baked goods--5.0 ppm; in condiments, pickles--20.0 ppm; in meat, meat sauces, Soups--12.75 ppm.|SULFUR-CONTAINING COMPD LISTED ON THE FEMA-GRAS LIST--PROPENYL PROPYL DISULFIDE.|FEMA No. 3227.|The chief volatile constituent of onion oil

Method: OSHA PV2086; Procedure: Gas chromatography with flame photometric detector; Analyte: allyl propyl disulfide; Matrix: air; Detection Limit: 0.02 ppm.

Food additives -> Flavoring Agents

Flavoring Agents