allyl thiopropionate
propanethioic acid, S-2-propenyl ester
 
Notes:
Flavouring ingredient
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      41820-22-8 Allyl Thiopropionate
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      01-21800 ALLYL THIOPROPIONATE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Product(s):
      W0127 Allyl Thiopropionate
       
  • Taytonn ASCC
    • Taytonn ASCC Pte Ltd
      Supplying Asia Pacific
      We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
      Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
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      Allyl Thiopropionate
       
  • R C Treatt & Co Ltd
    • R C Treatt and Co Ltd
      Innovative ingredient solutions
      World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
      We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products.
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      Allyl thiopropionate NI, Kosher
       
Synonyms   Articles   Notes   Search
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, Edge 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
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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
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 (SATF):41820-22-8 ; ALLYL THIOPROPIONATE
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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 mmHg @ 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
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: alliaceous
 
 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 ASCC
Allyl Thiopropionate
Odor Description: Garlic, Grass, Green, Onion
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Allyl Thiopropionate
DeLong Chemicals America
Allyl thiopropionate, Kosher
Penta International
ALLYL THIOPROPIONATE
R C Treatt & Co Ltd
Allyl thiopropionate
NI, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
S-Allyl Thiopropionate
Synerzine
Allyl Thiopropionate
Taytonn ASCC
Allyl Thiopropionate
Odor: Garlic, Grass, Green, Onion
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
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: --
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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
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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
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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
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Potential Blenders and core components note
 
For Odor
alliaceous
 dibutyl sulfideFL/FR
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 ferula assa-foetida gum oilFL/FR
 methyl furfuryl disulfideFL/FR
 propyl mercaptanFL/FR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
chocolate
2,4,5-trimethyl thiazoleFL/FR
citrus
 grapefruit mercaptanFL/FR
 methyl heptenoneFL/FR
coffee
 coffee difuranFL/FR
coumarinic
 phthalideFL/FR
creamy
2,3-butane diolFR
ethereal
2-methyl valeraldehydeFL/FR
2-methyl-1-butanolFL/FR
fermented
 ethyl (E)-2-crotonateFL/FR
floral
(Z)-rose oxideFL/FR
fruity
2-methyl-2-pentenalFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl thiazoleFL/FR
 cortex pyridineFL/FR
 galbanum decatrieneFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-leaf acetalFL/FR
 methyl heptine carbonateFL/FR
 nerol oxideFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
1-penten-3-olFL/FR
herbal
3-butylidene phthalideFL/FR
(E)-2-dodecenalFL/FR
meaty
 meaty dithianeFL/FR
musty
 cocoa butenalFL/FR
spicy
 ethyl vinyl ketoneFL/FR
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
 ethyl 2-mercaptopropionateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ferula assa-foetida absoluteFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
3-(methyl thio) hexanolFL/FR
2-(methyl thio) phenolFL/FR
 onion oilFL/FR
4-tropical oxathianeFL/FR
woody
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
isoamyl mercaptanFL
sec-amyl mercaptanFL
 diethyl trisulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
 dipropyl sulfideFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
 heptyl mercaptanFL
2-hexyl thiopheneFL
 methyl butyl sulfideFL
2-(methyl thio) methyl-2-butenalFL
 propenyl propyl disulfideFL
isopropyl disulfideFL
2,3,5-trithiahexaneFL
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
 benzyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dicyclohexyl disulfideFL
 diethyl disulfideFL
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 dipropyl trisulfideFL
 ferula assa-foetida gum oilFL/FR
 leek oilFL
3-mercapto-2-methyl pentanolFL
3-mercapto-2-pentanoneFL
 methyl 3-mercaptobutanoateFL
2-methyl thioacetaldehydeFL
 propyl mercaptanFL/FR
3-tetrahydrothiophenoneFL
 truffle sulfideFL
cabbage
 methyl 2-thiofuroateFL
celery
3-butylidene phthalideFL/FR
citrus
 grapefruit mercaptanFL/FR
coffee
 coffee difuranFL/FR
 methyl furfuryl disulfideFL/FR
corn chip
2-acetyl-2-thiazolineFL
coumarinic
 phthalideFL/FR
eggy
isopropyl mercaptanFL
ethereal
2-methyl-1-butanolFL/FR
fruity
2,4-hexadien-1-olFL
2-methyl-2-pentenalFL/FR
4-tropical oxathianeFL/FR
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
green
 acetaldehyde butyl phenethyl acetalFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl thiazoleFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
 cocoa butenalFL/FR
 cortex pyridineFL/FR
 dibutyl sulfideFL/FR
 dihydroxyacetophenone (mixed isomers)FL
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 galbanum decatrieneFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
2-hexyl pyridineFL
 horseradish oilFL
(Z)-leaf acetalFL/FR
 methyl heptenoneFL/FR
 methyl heptine carbonateFL/FR
4-methyl thiazoleFL
 nerol oxideFL/FR
4-penten-1-yl acetateFL
1-penten-3-olFL/FR
(Z)-rose oxideFL/FR
meaty
 meaty dithianeFL/FR
(R,S)-2-mercapto-3-butanolFL
2-(methyl thio) phenolFL/FR
bis(2-methyl-3-furyl) disulfideFL
ortho-thiocresolFL
metallic
3-(methyl thio) hexanolFL/FR
musty
 ethyl (E)-2-crotonateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
nutty
2,4,5-trimethyl thiazoleFL/FR
onion
 ethyl 2-mercaptopropionateFL/FR
 methionolFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
 propyl thioacetateFL
roasted
 ethyl 3-(furfuryl thio) propionateFL
seafood
1,4-dithianeFL
spicy
 ethyl vinyl ketoneFL/FR
sulfurous
 allyl sulfideFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
 ethyl methyl mercaptopropionateFL/FR
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
3-mercapto-2-methyl pentanalFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl 4-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
2-methyl thiopheneFL
 onion oilFL/FR
 onion oleoresinFL
vegetable
 methyl 3-(methyl thio) propionateFL/FR
2-methyl valeraldehydeFL/FR
2-octen-4-oneFL/FR
waxy
(E)-2-dodecenalFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 garlicFL
 leekFL
 meatFL
 onionFL
 vegetableFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 found in nature
Synonyms   Articles   Notes   Search   Top
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
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