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2-mercapto-3-butanol
2-butanol, 3-mercapto-

Supplier Sponsors

CAS Number: 54812-86-1Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J863.633H
MDL:MFCD00010271
XlogP3-AA:0.70 (est)
Molecular Weight:106.18790000
Formula:C4 H10 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
FDA Mainterm (SATF):54812-86-1 ; 2-MERCAPTO-3-BUTANOL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:1.01200 to 1.01600 @ 20.00 °C.
Pounds per Gallon - (est).: 8.431 to 8.464
Refractive Index:1.48000 to 1.48400 @ 20.00 °C.
Boiling Point: 162.00 to 163.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.750000 mmHg @ 25.00 °C. (est)
Flash Point: 143.00 °F. TCC ( 61.70 °C. ) (est)
logP (o/w): 0.477 (est)
Soluble in:
 alcohol
 water, 3.195e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Aston Chemical
For experimental / research use only.
2-Butanol, 3-mercapto-
TCI AMERICA
For experimental / research use only.
3-Mercapto-2-butanol (mixture of isomers) >97.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
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 2-mercapto-3-butanol 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 :62087
National Institute of Allergy and Infectious Diseases:Data
3-sulfanylbutan-2-ol
Chemidplus:0054812861
 
References:
 3-sulfanylbutan-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):62087
Pubchem (sid):135021363
 
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):HMDB40185
FooDB:FDB019897
Export Tariff Code:2930.90.9190
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-butanol, 3-mercapto-
3-hydroxy-2-butane thiol
3-hydroxy-2-butanethiol
2-hydroxy-3-butane thiol
2-hydroxy-3-butanethiol
2-hydroxy-3-mercaptobutane
3-mercapto-2-butanol
3-mercaptobutan-2-ol
3-sulfanylbutan-2-ol
 
 
Notes:
Flavouring ingredient
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