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(S)-grape butyrate
ethyl (S)-3-hydroxybutyrate

Supplier Sponsors

CAS Number: 56816-01-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:260-393-1
FDA UNII: Search
Nikkaji Web:J57.246B
Beilstein Number:2347951
MDL:MFCD00066206
XlogP3-AA:0.20 (est)
Molecular Weight:132.15924000
Formula:C6 H12 O3
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear viscous liquid (est)
Assay: 95.00 to 100.00
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:1.41900 to 1.42300 @ 20.00 °C.
Optical Rotation:+16.0 to +19.0
Boiling Point: 174.00 to 175.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.362000 mmHg @ 25.00 °C. (est)
Flash Point: 148.00 °F. TCC ( 64.40 °C. ) (est)
logP (o/w): -0.019 (est)
Soluble in:
 alcohol
 water, 1.592e+005 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.
(S)-(+)-3-Hydroxybutyric Acid Ethyl Ester
EMD Millipore
For experimental / research use only.
(S)-Ethyl-3-hydroxybutyrate
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl (S)-3-hydroxybutyrate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Ethyl (S)-3-hydroxybutyrate 99%
TCI AMERICA
For experimental / research use only.
Ethyl (S)-(+)-3-Hydroxybutyrate >96.0%(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:
information only not used for fragrances or flavors
Recommendation for (S)-grape butyrate usage levels up to:
 not for fragrance use.
 
Recommendation for (S)-grape butyrate 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 :6950306
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl (3S)-3-hydroxybutanoate
Chemidplus:0056816014
 
References:
 ethyl (3S)-3-hydroxybutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6950306
Pubchem (sid):135048330
 
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
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid, 3-hydroxy-, ethyl ester, (3S)-
(S)-ethoxiff
 ethyl (3S)-3-hydroxybutanoate
 ethyl (S)-(+)-3-hydroxybutyrate
 ethyl (S)-(1)-3-hydroxybutyrate
 ethyl (S)-3-hydroxybutanoate
 ethyl (S)-3-hydroxybutyrate
 ethyl (S)-beta-hydroxybutyrate
(S)-ethyl 3-hydroxybutanoate
 ethyl-(S)-(+)-3-hydroxybutyrate
 ethyl-(S)-3-hydroxybutanoate
 ethyl-(S)-3-hydroxybutyrate
(S)-3-hydroxybutanoic acid ethyl ester
(S)-(+)-3-hydroxybutyric acid ethyl ester
(S)-3-hydroxybutyric acid ethyl ester
 
 
Notes:
None found
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