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

amyl cyclopentanone propanone
magnolione

Sponsors

Fragrance Demo Formulas
Name:3-(2-oxopropyl)-2-pentylcyclopentan-1-one
CAS Number: 40942-73-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:255-149-6
Nikkaji Web:J72.738E
Beilstein Number:2102970
XlogP3-AA:2.50 (est)
Molecular Weight:210.31674000
Formula:C13 H22 O2
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
Google Scholar: with word "volatile"Search
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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 313.00 to 314.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000490 mm/Hg @ 25.00 °C. (est)
Flash Point: 243.00 °F. TCC ( 117.22 °C. )
logP (o/w): 2.407 (est)
Soluble in:
 alcohol
 water, 368.5 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
amyl cyclopentenone
2-heptyl-1-cyclopentanone
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
floral magnolia jasmin
Odor Description:at 100.00 %. floral magnolia jasmin
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Penta International
3-(2-OXOPROPYL)-2-PENTYLCYCLOPENTANONE
 
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:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 795, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 795, 1982.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for amyl cyclopentanone propanone usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Recommendation for amyl cyclopentanone propanone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):40942-73-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :162030
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-(2-oxopropyl)-2-pentylcyclopentan-1-one
Chemidplus:0040942732
 
References:
Leffingwell:Chirality or Article
 3-(2-oxopropyl)-2-pentylcyclopentan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:40942-73-2
Pubchem (cid):162030
Pubchem (sid):135116640
 
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
For Odor
aldehydic
muguet undecadienal
FR
citrus
myrmac aldehyde
FR
floral
citronellyl ethoxalate
FR
cumin carbinol
FR
cyclamen homoaldehyde
FR
cyclohexyl propanol
FR
2-
decalinol
FR
ethyl linalyl acetal
FR
floral butanal
FR
floral pyranol
FR
hawthorn ethanol
FR
honeysuckle absolute
FR
jasimia
FR
jasmin pyranol
FR
para-
jasmone
FR
leerall
FR
lilyall
FR
lilyall / methyl anthranilate schiff's base
FR
magnolia cyclohexanol
FR
magnolia decadienal
FR
magnolia indene
FR
methoxycitronellal
FR
muguet butanal
FR
muguet butanol
FR
muguet carboxaldehyde
FR
muguet ethanol
FR
muguet nitrile
FR
muguet propanol
FR
pentenyl cyclopentanone
FR
2-
pentyl cyclopentan-1-ol
FR
phenyl glycol diacetate
FR
rose petal acetate
FR
fruity
methyl bicycloheptenyl methyloxirane carboxylate
FR
For Flavor
 
Potential Uses:
FRfloral
FRjasmin
FRmagnolia
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-acetonyl-2-pentylcyclopentanone
 cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
 magnolione
2-pentyl-3-(2-propanone)-1-cyclopentanone
3-(2-oxopropyl)-2-pentyl cyclopentan-1-one
3-(2-oxopropyl)-2-pentyl cyclopentanone
3-(2-oxopropyl)-2-pentylcyclopentan-1-one
3-(2-oxopropyl)-2-pentylcyclopentanone
 
 
Notes:
None found
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