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2-(1-mercaptoethyl) furan
2-furanmethanethiol, a-methyl-

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CAS Number: 96631-04-8Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:1.50 (est)
Molecular Weight:128.19396000
Formula:C6 H8 O S
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 139.00 to 140.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:7.899000 mmHg @ 25.00 °C. (est)
Flash Point: 101.00 °F. TCC ( 38.30 °C. ) (est)
logP (o/w): 2.439 (est)
Soluble in:
 water, 1074 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Flavor Type: burnt
burnt onion caramellic
Taste Description: burnt onion caramellic
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
R C Treatt & Co Ltd
2-(1-Mercaptoethyl) Furan
Made experimentally.
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
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:
natural substances and extractives
Recommendation for 2-(1-mercaptoethyl) furan usage levels up to:
 not for fragrance use.
Recommendation for 2-(1-mercaptoethyl) furan flavor usage levels up to:
 not for flavor 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 :526185
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):526185
Pubchem (sid):10542573
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
HMDB (The Human Metabolome Database):HMDB39586
VCF-Online:VCF Volatile Compounds in Food
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 coffee roasted coffee
Search PMC Picture
2-furanmethanethiol, a-methyl-
2-furanmethanethiol, alpha-methyl-
1-(2-furyl) ethane thiol
Cysteine/cystine-derived Maillard product, present in model meat aroma systems
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