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allyl thioacetate
ethanethioic acid, S-2-propen-1-yl ester

Supplier Sponsors

Name:S-prop-2-enyl ethanethioate
CAS Number: 23973-51-5Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J1.033.184F
XlogP3-AA:1.30 (est)
Molecular Weight:116.18296000
Formula:C5 H8 O S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Pubchem Patents:Search
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NCBI:Search
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 132.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:9.059000 mmHg @ 25.00 °C. (est)
Flash Point: 87.00 °F. TCC ( 30.50 °C. ) (est)
logP (o/w): 1.580 (est)
Soluble in:
 alcohol
 water, 1.265e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Allyl thioacetate
DeLong Chemicals America
Allyl thioacetate
Penta International
ALLYL THIOACETATE
 
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
IFRA Purity Specification: < 0.1% free allyl alcohol
Recommendation for allyl thioacetate usage levels up to:
 not for fragrance use.
 
 
Safety References:
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 :355644
National Institute of Allergy and Infectious Diseases:Data
S-prop-2-enyl ethanethioate
 
References:
 S-prop-2-enyl ethanethioate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):355644
Pubchem (sid):10541419
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FLvegetable
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
S-allyl ethanethioate
 allylthioacetate
 ethanethioic acid, S-2-propen-1-yl ester
S-prop-2-enyl ethanethioate
 
 
Notes:
None found
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