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

allyl thiopropionate
propanethioic acid, S-2-propenyl ester

Sponsors

Name:S-prop-2-enyl propanethioate
CAS Number: 41820-22-8Picture of molecule3D/inchi
% from:83.00% to 85.00%
FDA UNII:95HUD1BW6G
Nikkaji Web:J1.539.211H
MDL:MFCD00209497
CoE Number:11436
XlogP3-AA:1.80 (est)
Molecular Weight:130.20990000
Formula:C6 H10 O S
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:allyl sulfide 15.00%
EFSA/JECFA Comments:
At least 83%; secondary component 15-18% diallyl sulfide. (JECFA)
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:490 allyl thiopropionate
FLAVIS Number:12.101 (Old)
DG SANTE Food Flavourings:12.101 allyl thiopropionate
FEMA Number:3329 allyl thiopropionate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ALLYL THIOPROPIONATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 83.00 to 100.00
Additional Assay Information:+ 15% diallyl sulfide
Water Content:<0.4
Food Chemicals Codex Listed: No
Specific Gravity:0.89800 to 0.90200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.472 to 7.506
Refractive Index:1.47500 to 1.48500 @ 20.00 °C.
Boiling Point: 150.00 to 151.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:3.667000 mm/Hg @ 25.00 °C. (est)
Flash Point: 119.00 °F. TCC ( 48.33 °C. )
logP (o/w): 2.089 (est)
Soluble in:
 alcohol
 water, 4266 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl propionate
amyl propionate
isoamyl propionate
para-anisyl propionate
benzyl propionate
bornyl propionate
isobornyl propionate
butyl propionate
isobutyl propionate
tert-butyl propionate
carvyl propionate
cinnamyl propionate
citronellyl propionate
para-cresyl propionate
cyclohexyl propionate
cyclotene propionate
decyl propionate
dewy propionate
dicyclopentadiene propionate
dimethyl benzyl carbinyl propionate
dodecyl propionate
ethyl propionate
eugenyl propionate
furfuryl propionate
furfuryl thiopropionate
geranyl propionate
guaiacyl propionate
heptyl propionate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
hexyl propionate
linalyl propionate
maltyl propionate
menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
methyl propionate
nerolidyl propionate
neryl propionate
nonisyl propionate
nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
octyl propionate
phenethyl propionate
phenoxyethyl propionate
3-phenyl propyl propionate
propyl propionate
isopropyl propionate
rhodinyl propionate
sorbyl propionate
styralyl propionate
sulfuryl propionate
terpinyl propionate
tetrahydrofurfuryl propionate
tricyclodecenyl propionate
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
fresh onion garlic green gassy
Odor Description:at 0.10 % in propylene glycol. fresh onion garlic green gassy
fresh onion garlic green gassy
Odor Description:Fresh onion garlic-like with green gassy nuances
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
Flavor Type: alliaceous
fresh onion green sweet vegetable
Taste Description: at 5.00 ppm. Fresh onion with a green sweet vegetable nuance
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
Odor and/or flavor descriptions from others (if found).
Taytonn
Allyl Thiopropionate
Odor Description:Garlic, Grass, Green, Onion
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Allyl Thiopropionate
DeLong Chemicals America
Allyl thiopropionate, Kosher
Endeavour Specialty Chemicals
Allyl thiopropionate 98% F&F
Speciality Chemical Product Groups
Penta International
ALLYL THIOPROPIONATE, Kosher
Robinson Brothers
Allyl thiopropionate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
S-Allyl Thiopropionate
Synerzine
Allyl Thiopropionate
Taytonn
Allyl Thiopropionate
Odor: Garlic, Grass, Green, Onion
Treatt
Allyl thiopropionate
NI, Kosher
 
Safety Information:
Preferred SDS: View
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: < 0.1% free allyl alcohol
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
 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
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
 
References:
 S-prop-2-enyl propanethioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:41820-22-8
Pubchem (cid):61995
Pubchem (sid):135019819
Pherobase:View
 
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):HMDB37493
FooDB:FDB016568
Export Tariff Code:2915.50.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Allyl thiopropionate
 
Potential Blenders and core components note
For Odor
alliaceous
dibutyl sulfide
FL/FR
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
methyl furfuryl disulfide
FL/FR
propyl mercaptan
FL/FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
chocolate
2,4,5-
trimethyl thiazole
FL/FR
citrus
grapefruit mercaptan
FL/FR
methyl heptenone
FL/FR
coffee
coffee difuran
FL/FR
coumarinic
phthalide
FL/FR
creamy
2,3-
butane diol
FR
ethereal
2-
methyl valeraldehyde
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
(Z)-
rose oxide
FL/FR
fruity
2-
methyl-2-pentenal
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
cortex pyridine
FL/FR
galbanum decatriene
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
methyl heptine carbonate
FL/FR
nerol oxide
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
1-
penten-3-ol
FL/FR
herbal
3-
butylidene phthalide
FL/FR
(E)-2-
dodecenal
FL/FR
meaty
meaty dithiane
FL/FR
musty
cocoa butenal
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
ferula assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
3-(
methyl thio) hexanol
FL/FR
2-(
methyl thio) phenol
FL/FR
onion oil
FL/FR
4-
tropical oxathiane
FL/FR
woody
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl sulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
sec-
amyl mercaptan
FL
diethyl trisulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
dipropyl sulfide
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
heptyl mercaptan
FL
2-
hexyl thiophene
FL
3-
mercapto-2-methyl pentanol
FL
methyl butyl sulfide
FL
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-1-butanol
FL/FR
propenyl propyl disulfide
FL
iso
propyl disulfide
FL
propyl mercaptan
FL/FR
2,3,5-
trithiahexane
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
diethyl disulfide
FL
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
leek oil
FL
3-
mercapto-2-pentanone
FL
methyl 3-mercaptobutanoate
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
cabbage
methyl 2-thiofuroate
FL
celery
3-
butylidene phthalide
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
methyl furfuryl disulfide
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
coumarinic
phthalide
FL/FR
eggy
iso
propyl mercaptan
FL
fruity
2,4-
hexadien-1-ol
FL
2-
methyl-2-pentenal
FL/FR
4-
tropical oxathiane
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
green
acetaldehyde butyl phenethyl acetal
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
2-iso
butyl-3-methyl pyrazine
FL/FR
cocoa butenal
FL/FR
cortex pyridine
FL/FR
dibutyl sulfide
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
galbanum decatriene
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
2-
hexyl pyridine
FL
horseradish oil
FL
(Z)-
leaf acetal
FL/FR
methyl heptenone
FL/FR
methyl heptine carbonate
FL/FR
4-
methyl thiazole
FL
nerol oxide
FL/FR
4-
penten-1-yl acetate
FL
1-
penten-3-ol
FL/FR
(Z)-
rose oxide
FL/FR
meaty
meaty dithiane
FL/FR
(R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
metallic
3-(
methyl thio) hexanol
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
nutty
2,4,5-
trimethyl thiazole
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl methyl mercaptopropionate
FL/FR
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl 4-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
2-
methyl thiophene
FL
onion oil
FL/FR
onion oleoresin
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl valeraldehyde
FL/FR
2-
octen-4-one
FL/FR
waxy
(E)-2-
dodecenal
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
 
Potential Uses:
FLgarlic
FLleek
FLmeat
FLonion
FLvegetable
 
Occurrence (nature, food, other):note
 found in nature
 
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
 
 
Notes:
Flavouring ingredient
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