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

2-pentyl-2-cyclohexen-1-one
2-cyclohexen-1-one, 2-pentyl-

Supplier Sponsors

Name:3-pentylcyclohex-2-en-1-one
CAS Number: 25435-63-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:246-978-4
Nikkaji Web:J358.276K
XlogP3-AA:2.90 (est)
Molecular Weight:166.26366000
Formula:C11 H18 O
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 257.00 to 258.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.014000 mmHg @ 25.00 °C. (est)
Flash Point: 228.00 °F. TCC ( 108.80 °C. ) (est)
logP (o/w): 2.643 (est)
Soluble in:
 alcohol
 water, 43.35 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
muguet orange coconut lactonic jasmin
Odor Description:at 100.00 %. muguet orange coconut lactonic jasmin
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Pentylcyclohex-2-en-1-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:
fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for 2-pentyl-2-cyclohexen-1-one flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):25435-63-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :117483
National Institute of Allergy and Infectious Diseases:Data
3-pentylcyclohex-2-en-1-one
Chemidplus:0025435636
 
References:
 3-pentylcyclohex-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:25435-63-6
Pubchem (cid):117483
Pubchem (sid):135074198
 
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
For Odor
coconut
3-
butyl bicyclo[3.2.1]octan-2-one
FR
coconut decanone methyl
FR
delta-2-
dodecenolactone
FL/FR
fruity
fruity cyclopentanone
FR
peach nitrile
FR
lactonic
jasminone
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
octahydrocoumarin
FL/FR
For Flavor
No flavor group found for these
delta-2-
dodecenolactone
FL/FR
celery
celery
jasminone
FL/FR
coconut
octahydrocoumarin
FL/FR
creamy
6-
amyl-alpha-pyrone
FL/FR
 
Potential Uses:
FRjasmin
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-cyclohexen-1-one, 2-pentyl-
2-pentyl cyclohex-2-en-1-one
2-pentylcyclohex-2-en-1-one
3-pentylcyclohex-2-en-1-one
 

Articles:

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Notes:
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