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propyl 2-mercaptopropionate

Chemical Structure

General Material Information

Preferred name propyl 2-mercaptopropionate
Trivial Name Propyl 2-mercaptopropanoate
Short Description propyl 2-sulfanylpropanoate
Formula C6 H12 O2 S
CAS Number 19788-50-2
FEMA Number 4207
Flavis Number 12.267
FDA UNII A6API9I47Z
NMR Predictor External link
JECFA Food Flavoring 1667 propyl 2-mercaptopropionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 19788-50-2 ; PROPYL 2-MERCAPTOPROPIONATE
Synonyms
  • 2-mercaptopropanoic acid propyl ester
  • propanoic acid, 2-mercapto-, propyl ester
  • propyl 2-sulfanyl propanoate
  • propyl 2-sulfanylpropanoate
  • propyl-2-mercaptopropionate
  • Propionic acid, 2-mercapto-, propyl ester
  • Propyl 2-mercaptopropanoate

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):HMDB32495
FooDB:FDB010143
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 148.22503662109
Specific gravity @ 25 °C
Pounds per Gallon 8.437 to 8.487
Refractive Index 1.447 to 1.453 @ 20 °C
Vapor Pressure 0.472 mmHg @ 25 °C
Flash Point TCC Value 74.4 °C TCC
logP (o/w) 2.062 est
Solubility
alcohol Yes
water, slightly Yes
water, 2642 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Meaty
cooked, meaty roasted meaty, meaty, potato baked potato
General comment At 0.10 % in propylene glycol. cooked roasted meat baked potato roasted meat
Flavor Type: Meaty
earthy, potato baked potato, peanut roasted peanut
General comment Earthy baked potato roasted peanut

Safety Information

Safety information

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
Recommendation for propyl 2-mercaptopropionate usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 22
Click here to view publication 22
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.040000.10000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.040000.10000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.040000.10000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.040000.10000
snack foods: 0.040000.10000
soft candy: --
soups: 0.040000.10000
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 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
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 :22445528
National Institute of Allergy and Infectious Diseases:Data
propyl 2-sulfanylpropanoate
Chemidplus:0019788502