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isovalerophenone
1-butanone, 3-methyl-1-phenyl-

Supplier Sponsors

CAS Number: 582-62-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-489-7
FDA UNII: U263XQR51P
Nikkaji Web:J11.525H
Beilstein Number:1861344
MDL:MFCD00026486
XlogP3:3.00 (est)
Molecular Weight:162.23178000
Formula:C11 H14 O
BioActivity Summary:listing
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:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 236.00 to 237.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.053000 mmHg @ 25.00 °C. (est)
Flash Point: 193.00 °F. TCC ( 89.70 °C. ) (est)
logP (o/w): 3.046 (est)
Soluble in:
 alcohol
 water, 158.6 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.
3-methyl-1-phenylbutan-1-one 95%
Santa Cruz Biotechnology
For experimental / research use only.
isoValerophenone
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoValerophenone ≥98.0% (GC)
TCI AMERICA
For experimental / research use only.
isoValerophenone >99.0%(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 isovalerophenone usage levels up to:
 not for fragrance use.
 
Recommendation for isovalerophenone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):582-62-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :68493
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methyl-1-phenylbutan-1-one
Chemidplus:0000582627
 
References:
 3-methyl-1-phenylbutan-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):68493
Pubchem (sid):135026655
 
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:2914.39.9000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FLnut
FRspice
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1-butanone, 3-methyl-1-phenyl-
isobutyl phenyl ketone
 methyl phenyl butanone
3-methyl-1-phenyl-1-butanone
3-methyl-1-phenylbutan-1-one
1-phenyl-3-methyl-1-butanone
 
 
Notes:
None found
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