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

S-prenyl thioacetate
S-(3-methylbut-2-enyl) ethanethioate

Supplier Sponsors

Name:S-(3-methylbut-2-enyl) ethanethioate
CAS Number: 33049-93-3Picture of molecule3D/inchi
FDA UNII: 8UI6K2036L
Nikkaji Web:J390.558F
XlogP3-AA:2.20 (est)
Molecular Weight:144.23684000
Formula:C7 H12 O S
NMR Predictor:Predict (works with chrome, Edge or firefox)
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:491 prenyl thioacetate
DG SANTE Food Flavourings:12.195 S-prenyl thioacetate
FEMA Number:3895 prenyl thioacetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):33049-93-3 ; PRENYL THIOACETATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96400 to 0.96900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.021 to 8.063
Refractive Index:1.49200 to 1.49700 @ 20.00 °C.
Boiling Point: 67.00 to 68.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.171000 mmHg @ 25.00 °C. (est)
Flash Point: 127.00 °F. TCC ( 52.78 °C. )
logP (o/w): 2.628 (est)
Soluble in:
 alcohol
 heptane
 triacetin
 water, 1486 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Ethanethioic acid,S-(3-methyl-2-buten-1-yl) ester
BOC Sciences
For experimental / research use only.
3-Methyl-2-buten-1-yl Thiolacetate
Parchem
S-prenyl thioacetate
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-2-buten-1-yl Thiolacetate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 S-prenyl thioacetate 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: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: 0.050000.10000
beverages(nonalcoholic): 0.001000.01000
beverages(alcoholic): 0.005000.05000
breakfast cereal: 0.010000.05000
cheese: --
chewing gum: 0.050000.10000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.010000.05000
imitation dairy: --
instant coffee / tea: 0.001000.01000
jams / jellies: --
meat products: 0.010000.05000
milk products: 0.005000.05000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
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 :3084571
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
S-(3-methylbut-2-enyl) ethanethioate
Chemidplus:0033049933
 
References:
 S-(3-methylbut-2-enyl) ethanethioate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3084571
Pubchem (sid):135232579
 
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):HMDB31698
FooDB:FDB008361
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Prenyl thioacetate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 buchu leaf oil
Search Trop Picture
 
Synonyms:
 ethanethioic acid, S-(3-methyl-2-buten-1-yl) ester
3-methyl-2-buten-1-yl thiolacetate
3-methyl-2-butenyl acetothioate
S-3-methyl-2-butenyl ethane thioate
S-3-methyl-2-butenyl ethanethioate
S-(3-methyl-2-butenyl) acetothioate
S-(3-methylbut-2-en-1-yl) ethanethioate
S-(3-methylbut-2-enyl) ethanethioate
 prenyl thioacetate
 
 
Notes:
Flavouring ingredient
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