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methyl (S)-3-hydroxybutyrate
butanoic acid, 3-hydroxy-, methyl ester, (3S)-

Supplier Sponsors

CAS Number: 53562-86-0Picture of molecule3D/inchi
FDA UNII: G10281A5AH
Nikkaji Web:J57.250K
Beilstein Number:1720853
MDL:MFCD00064461
XlogP3-AA:-0.20 (est)
Molecular Weight:118.13230000
Formula:C5 H10 O3
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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PubMed:Search
NCBI:Search
 
Physical Properties:
Food Chemicals Codex Listed: No
Specific Gravity:1.05600 to 1.06000 @ 25.00 °C.
Pounds per Gallon - (est).: 8.787 to 8.820
Refractive Index:1.42000 to 1.42300 @ 20.00 °C.
Boiling Point: 161.87 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.768000 mmHg @ 25.00 °C. (est)
Flash Point: 161.00 °F. TCC ( 71.67 °C. )
logP (o/w): -0.551 (est)
Soluble in:
 alcohol
 water, 4.728e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl (S)-(+)-3-Hydroxybutyrate
Santa Cruz Biotechnology
For experimental / research use only.
Methyl (S)-(+)-3-hydroxybutyrate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl (S)-(+)-3-hydroxybutyrate 99%
Takasago
Methyl (S)-(+)-3-hydroxybutyrate
The Fragrance Museum
TCI AMERICA
For experimental / research use only.
Methyl (S)-(+)-3-Hydroxybutyrate >98.0%(GC)
 
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:
natural substances and extractives
 
 
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 :6950307
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl (3S)-3-hydroxybutanoate
Chemidplus:0053562860
 
References:
 methyl (3S)-3-hydroxybutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6950307
Pubchem (sid):135060688
 
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):Search
Export Tariff Code:2918.19.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 habranthus brachyandrus
Search Trop Picture
 
Synonyms:
 butanoic acid, 3-hydroxy-, methyl ester, (3S)-
 butanoic acid, 3-hydroxy-, methyl ester, (S)-
(S)-3-hydroxybutanoic acid methyl ester
(S)-(+)-3-hydroxybutyric acid methyl ester
 methyl (3S)-3-hydroxybutanoate
 methyl (S)-(+)-3-hydroxybutyrate
 methyl S-3-hydroxybutanoate
 
 
Notes:
None found
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