EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

propyl 2-mercaptopropionate
propyl 2-sulfanylpropanoate

Sponsors

CAS Number: 19788-50-2Picture of molecule3D/inchi
FDA UNII:A6API9I47Z
Molecular Weight:148.22504000
Formula:C6 H12 O2 S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Specifications (Flavour Industry, 2007j). Racemate (EFFA, 2010a).
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1667 propyl 2-mercaptopropionate
FLAVIS Number:12.267 (Old)
DG SANTE Food Flavourings:12.267 propyl 2-mercaptopropionate
FEMA Number:4207 propyl 2-mercaptopropionate
FDA Mainterm: PROPYL 2-MERCAPTOPROPIONATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.30 to 100.00
Additional Assay Information:racemate
Food Chemicals Codex Listed: No
Specific Gravity:1.01400 to 1.02000 @ 25.00 °C.
Pounds per Gallon - (est).: 8.437 to 8.487
Refractive Index:1.44700 to 1.45300 @ 20.00 °C.
Boiling Point: 193.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.472000 mm/Hg @ 25.00 °C. (est)
Flash Point: 166.00 °F. TCC ( 74.40 °C. ) (est)
logP (o/w): 2.062 (est)
Soluble in:
 alcohol
 water, slightly
 water, 2642 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: meaty
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
cooked meaty roasted meaty meaty potato baked potato
Odor Description:at 0.10 % in propylene glycol. cooked roasted meat baked potato
Flavor Type: meaty
">earthy potato baked potato peanut roasted peanut
Taste Description: earthy baked potato roasted peanut
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Propanoic acid,2-mercapto-, propyl ester
BOC Sciences
For experimental / research use only.
Propyl 2-mercaptopropionate
Endeavour Specialty Chemicals
Propyl-2-mercaptopropionate 98% F&F
Speciality Chemical Product Groups
Robinson Brothers
Propyl-2-mercaptopropionate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Treatt
Propyl 2-mercaptopropionate
Kosher
Treatt
Propyl-2-mercaptopropionate 1% in TEC
 
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
 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
EPI System: View
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
 
References:
 propyl 2-sulfanylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22445528
Pubchem (sid):135358519
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32495
FooDB:FDB010143
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
amyl mercaptan
FL
1,2-
butane dithiol
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
2,5-
diethyl thiazole
FL
3,6-
diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL
dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
3-(
ethyl thio) butanol
FL
2-
ethyl-3-methyl thiopyrazine
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
2-
hexyl thiophene
FL
1-(3-
hydroxy-5-methyl-2-thienyl) ethanone
FL
3-
mercapto-3-methyl butyl formate
FL
4-
mercapto-3-methyl-2-butanol
FL
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-
methyl-1-butane thiol
FL
4-
methyl-2-(methyl thiomethyl)-2-hexenal
FL
2-
methyl-2-thiazoline
FL
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
1,9-
nonane dithiol
FL
1-
phenethyl mercaptan
FL
1-
phenyl-3(5)-propyl pyrazole
FL
3-iso
propenyl pentane dioic acid
FL
iso
propyl disulfide
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
thiazole
FL
3-
thienyl mercaptan
FL
thioacetic acid
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
S-
allyl-laevo-cysteine
FL
3,5-
diisopropyl-1,2,4-trithiolane
FL
3,5-
dimethyl-1,2,4-trithiolane
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
2,4-
dimethyl-3-oxazoline
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
(±)-3-(
methyl thio) heptanal
FL
3-(
methyl thio) methyl thiophene
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
3-
mercapto-2-pentanone
FL
3-
tetrahydrothiophenone
FL
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
chemical
2,5-
dimethyl furan
FL
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
2-
pentyl thiophene
FL
green
4-
methyl thiazole
FL
4-
penten-1-yl acetate
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
furfuryl 2-methyl-3-furyl disulfide
FL
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
methyl 3-(methyl thio) furan
FL
methyl thiofuryl butanal
FL
12-
methyl tridecanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenyl mercaptan
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-4-methyl thiazole
FL
2-
butyl-2-butenal
FL
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
nutty thiazole
FL
onion
furfuryl isopropyl sulfide
FL
phenolic
2-
ethyl benzene thiol
FL
popcorn
2-
propionyl-2-thiazoline
FL
radish
3-(
methyl thio) propyl mercaptoacetate
FL
roasted
hexyl mercaptan
FL
lactoyl ethanolamine
FL
lactoyl ethanolamine phosphate
FL
smoky
prosopis juliflora wood extract
FL
sulfurous
2,3-
butane dithiol
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
potato butanone
FL
roasted butanol
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
vegetable
tyramine
FL
wasabi
2-(
methyl thio) ethyl acetate
FL
yeasty
faex extracts
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
2-mercaptopropanoic acid propyl ester
 propanoic acid, 2-mercapto-, propyl ester
 propyl 2-sulfanyl propanoate
 propyl 2-sulfanylpropanoate
 propyl-2-mercaptopropionate
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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