Identification

Nameallyl sulfide
IUPAC3-prop-2-enylsulfanylprop-1-ene
CAS Number592-88-1
EINECS209-775-1
FDA UNII60G7CF7CWZ
Molecular FormulaC6 H10 S
Molecular Weight114.21070000
MDL NumberMFCD00008658
Nikkaji NumberJ6.765B
Beilstein1736016
CoE Number11846

Regulatory

JECFA Food Flavoring458 allyl sulfide
DG SANTE Food Flavourings12.088 diallyl sulfide
FEMA Number2042
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)592-88-1 ; ALLYL SULFIDE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.88700 to 0.89200 @ 25.00 °C.
Pounds per Gallon - (est). 7.381 to 7.422
Refractive Index 1.48800 to 1.49200 @ 20.00 °C.
Melting Point -83.00 °C. @ 760.00 mm Hg
Boiling Point 138.00 to 139.00 °C. @ 760.00 mm Hg
Vapor Pressure 9.220000 mmHg @ 25.00 °C.
Vapor Density 3.9 ( Air = 1 )
Flash Point 113.00 °F. TCC ( 45.00 °C. )
logP (o/w) 2.610
Soluble in alcohol
Insoluble in water
Similar Items note

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description
at 0.10 % in propylene glycol.
Pungent, sulfurous, onion-garlic and horseradish-like with a metallic nuance
horseradish; green; alliaceous (onion, garlic)
Taste Description at 2.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 2980 mg/kg
Dermal Toxicityskin-rabbit LD50 > 5000 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents and cosmetic fragrance agents
IFRA Purity Specification< 0.1% free allyl alcohol
Recommendation for allyl sulfide usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)15.44 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)0.40 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)1413 (μg/person/day)
Threshold of Concern540 (μg/person/day)
Structure ClassII
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)0.01000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.01000
Edible ices, including sherbet and sorbet (03.0)0.01000
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)0.01000
Confectionery (05.0)0.04000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.01000
Bakery wares (07.0)7.67000
Meat and meat products, including poultry and game (08.0)9.22000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.01000
Eggs and egg products (10.0)0.01000
Sweeteners, including honey (11.0)0.01000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)8.90000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.01000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.01000
Ready-to-eat savouries (15.0)-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.01000

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Potential Uses

FL/FR asafoetida FL chive FL durian FL garlic FL horseradish FL jackfruit FL leek FL onion FL radish FL savory FL scallion FL shallot FL wasabi

Natural Occurrence

aromoracia lapathifolia beef roasted beef PMC cress garden cress oil diplotazis tenuifolia garlic garlic bulb garlic fruit juice garlic oil horseradish root leek leek wild leek plant mustard PMC onion oil radish root

Synonyms

allyl monosulfide allyl sulfide allyl sulfide mix natural allyl sulphide (diallyl sulphide) 3- allylsulfanyl-propene 3-( allylsulfanyl)-1-propene 3-( allylsulfanyl)prop-1-ene diallyl monosulfide diallyl sulfide diallyl sulphide diallyl thioather diallyl thioether diallylsulfide diprop-2-en-1-yl sulfide 3-( prop-2-en-1-ylsulfanyl)prop-1-ene 3- prop-2-enylsulfanylprop-1-ene 1- prop-2-enylthioprop-2-ene 1- propene, 3,3'-thiobis- 2- propenyl sulfide 2- propenyl sulphide bis(2- propenyl) sulfide 3,3'- sulfanediylbis(prop-1-ene) sulfide, diallyl thioallyl ether 3,3'- thiobis-1-propene 3,3- thiobis(1-propene) 3,3'- thiobis(prop-1-ene) 3,3'- thiobispropane PubMed: Diallyl sulfide, a flavor component of garlic (Allium sativum), inhibits dimethylhydrazine-induced colon cancer.