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phenyl ethylidene acetone
benzonitrile, 3-amino- (9CI)

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Name:5-phenylpentan-2-one
CAS Number: 2235-83-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-794-4
Nikkaji Web:J113.061G
Beilstein Number:0636498
MDL:MFCD01024555
XlogP3:2.40 (est)
Molecular Weight:162.23178000
Formula:C11 H14 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome 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 oily liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.01400 @ 25.00 °C.
Boiling Point: 108.00 °C. @ 3.00 mm Hg
Boiling Point: 261.00 to 262.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.012000 mmHg @ 25.00 °C. (est)
Flash Point: 250.00 °F. TCC ( 121.11 °C. )
logP (o/w): 2.420
Soluble in:
 alcohol
 water, 573.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
floral sweet pea
Odor Description:at 100.00 %. floral sweet pea
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
5-Phenylpentan-2-one
 
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 phenyl ethylidene acetone usage levels up to:
 not for fragrance use.
 
Recommendation for phenyl ethylidene acetone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16701
National Institute of Allergy and Infectious Diseases:Data
5-phenylpentan-2-one
Chemidplus:0002235838
 
References:
 5-phenylpentan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):16701
Pubchem (sid):134983494
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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:
FRsweet pea
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
m-anthranilonitrile
 benzonitrile, 3-amino- (9CI)
 methyl 3-phenyl propyl ketone
 methyl 3-phenylpropyl ketone
2-pentanone, 5-phenyl-
5-phenyl pent-3-en-2-one
5-phenyl pentan-2-one
5-phenyl-2-pentanone
5-phenylpentan-2-one
 
 
Notes:
None found
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