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allyl thiopropionate

Chemical Structure

General Material Information

Preferred name allyl thiopropionate
Trivial Name S-Allyl thiopropionate
Short Description propanethioic acid, S-2-propenyl ester
Formula C6 H10 O S
CAS Number 41820-22-8
FEMA Number 3329
Flavis Number 12.101
FDA UNII 95HUD1BW6G
Nikkaji Number J1.539.211H
MDL MFCD00209497
COE Number 11436
xLogP3-AA 1.80 (est)
NMR Predictor External link
JECFA Food Flavoring 490 allyl thiopropionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 41820-22-8 ; ALLYL THIOPROPIONATE
Synonyms
  • S- allyl thiopropionate
  • proionic acid thioacrylic ester
  • S- prop-2-enyl propanethioate
  • propane thioic acid S-2-propenyl ester
  • propanethioic acid, S-2-propen-1-yl ester
  • propanethioic acid, S-2-propenyl ester
  • S-2-propenyl propane thioate
  • S-2-propenyl propanethioate
  • propionic acid, thioallyl ester
  • thioacrylic propionate
  • S-prop-2-enyl propanethioate
  • S-Allyl thiopropionate
  • S-Allyl thiopropanoate
  • 1-(Prop-2-en-1-ylsulfanyl)propan-1-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37493
FooDB:FDB016568
Export Tariff Code:2915.50.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Allyl thiopropionate

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.20989990234
Specific gravity @ 25 °C
Pounds per Gallon 7.472 to 7.506
Refractive Index 1.475 to 1.485 @ 20 °C
Boiling Point 150 to 151°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 3.667 mmHg @ 25 °C
Flash Point TCC Value 48.33 °C TCC
logP (o/w) 2.089 est
Solubility
alcohol Yes
water, 4266 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Alliaceous
fresh, onion, garlic, green, gassy
General comment At 0.10 % in propylene glycol. fresh onion garlic green gassy
Mosciano, Gerard P&F 17, No. 1, 41, (1992) Fresh onion garlic-like with green gassy nuances
Flavor Type: Alliaceous
fresh, onion, green, sweet, vegetable
Mosciano, Gerard P&F 17, No. 1, 41, (1992) At 5.00 ppm. Fresh onion with a green sweet vegetable nuance

Potential Uses

Applications
Flavoring purposes Garlic, Leek, Meat, Onion, Vegetable

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
IFRA Purity Specification:
Recommendation for allyl thiopropionate usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 6
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -0.25000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -0.25000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.25000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.25000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.25000
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61995
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
S-prop-2-enyl propanethioate
Chemidplus:0041820228