EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

methyl 6-hydroxyhexanoate
hexanoic acid, 6-hydroxy-, methyl ester

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CAS Number: 4547-43-7Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J140.278A
MDL:MFCD00083576
XlogP3-AA:0.40 (est)
Molecular Weight:146.18618000
Formula:C7 H14 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
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 199.60 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.100000 mmHg @ 25.00 °C. (est)
Flash Point: 165.00 °F. TCC ( 73.80 °C. ) (est)
logP (o/w): 0.300 (est)
Soluble in:
 water, 4.585e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
6-Hydroxyhexanoic acid methyl ester
 
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:
information only not used for fragrances or flavors
Recommendation for methyl 6-hydroxyhexanoate usage levels up to:
 not for fragrance use.
 
Recommendation for methyl 6-hydroxyhexanoate 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 :3083855
National Institute of Allergy and Infectious Diseases:Data
methyl 6-hydroxyhexanoate
Chemidplus:0004547437
 
References:
 methyl 6-hydroxyhexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3083855
Pubchem (sid):135231159
 
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
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 hexanoic acid, 6-hydroxy-, methyl ester
6-hydroxyhexanoic acid methyl ester
6-hydroxyhexanoicacidmethylester
 methyl 6-hydroxycapronate
 

Articles:

PubMed:Synthesis and Molecular Structure of the 5-Methoxycarbonylpentyl α-Glycoside of the Upstream, Terminal Moiety of the O-Specific Polysaccharide of Vibrio cholerae O1, Serotype Inaba.
PubMed:Introducing an in situ capping strategy in systems biocatalysis to access 6-aminohexanoic acid.
PubMed:Microbial/enzymatic synthesis of chiral drug intermediates.
PubMed:Synthesis of a novel ether-bridged GM3-lactone analogue as a target for an antibody-based cancer therapy.
PubMed:Synthesis of eight glycosides of hexasaccharide fragments representing the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Inaba and Ogawa, bearing aglycons suitable for linking to proteins.
PubMed:Agents for alkylating steroid hormone receptors. 3. Omega-substituted esters of 17-alpha-hydroxyprogesterone.
 
Notes:
None found
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