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

5-methyl-3-hexanone
ethyl isobutyl ketone

Supplier Sponsors

Name:5-methylhexan-3-one
CAS Number: 623-56-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-801-9
FDA UNII: 884FC3YC2Q
Nikkaji Web:J110.463B
MDL:MFCD00009319
XlogP3-AA:1.70 (est)
Molecular Weight:114.18778000
Formula:C7 H14 O
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
Google Scholar: with word "volatile"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: 135.00 °C. @ 760.00 mm Hg
Vapor Pressure:6.619000 mmHg @ 25.00 °C. (est)
Flash Point: 88.00 °F. TCC ( 31.00 °C. ) (est)
logP (o/w): 1.840 (est)
Soluble in:
 water, 4057 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.
Ethyl Isobutyl Ketone
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl isobutyl ketone
TCI AMERICA
For experimental / research use only.
5-Methyl-3-hexanone >97.0%(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
Recommendation for 5-methyl-3-hexanone usage levels up to:
 not for fragrance use.
 
Recommendation for 5-methyl-3-hexanone 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 :12187
National Institute of Allergy and Infectious Diseases:Data
5-methylhexan-3-one
Chemidplus:0000623563
 
References:
 5-methylhexan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12187
Pubchem (sid):134977116
 
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):HMDB05841
FooDB:FDB023779
Export Tariff Code:2914.19.0000
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
 found in nature
 
Synonyms:
 ethyl isobutyl ketone
3-hexanone, 5-methyl-
 ketone, ethyl isobutyl
5-methylhexan-3-one
 
 
Notes:
Ethyl isobutyl ketone is a volatile organic compound (VOC). Ethyl isobutyl ketone is occasionally found as a volatile component of normal human biofluids. It is a component of the feces in about 25% of the normal population. Volatile organic compounds from feces have the potential to help in the diagnosis of gastrointestinal disease. (PMID: 5556886, 17314143) [HMDB]
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