amyl cyclopentanone propanone
magnolione
 
Notes:
None found
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Fragrance Demo Formulas
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:
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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 mmHg @ 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
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Organoleptic Properties:
 
Odor Type: floral
 
 floral  magnolia  jasmin  
Odor Description:
at 100.00 %. 
floral magnolia jasmin
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Moellhausen
MAGNOLIONE
Penta International
3-(2-OXOPROPYL)-2-PENTYLCYCLOPENTANONE
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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
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Safety in Use Information:
Category: fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
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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
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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
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Potential Blenders and core components note
 
For Odor
aldehydic
 citronellyl oxyacetaldehydeFL/FR
 muguet undecadienalFR
citrus
(Z)-4-decenalFL/FR
 myrmac aldehydeFR
floral
alpha-amyl cinnamyl acetateFL/FR
 benzyl acetoneFL/FR
 benzyl phenyl acetateFL/FR
 citronellyl ethoxalateFR
 cumin carbinolFR
 cyclamen homoaldehydeFR
 cyclohexyl propanolFR
2-decalinolFR
 ethyl linalyl acetalFR
(E,E)-farnesolFL/FR
 floral butanalFR
 floral pyranolFR
 geranyl acetoneFL/FR
(E)-geranyl acetoneFL/FR
 hawthorn ethanolFR
 honeysuckle absoluteFR
 jasimiaFR
 jasmin absolute (from pommade)FL/FR
 jasmin absolute egypt (from concrete)FL/FR
 jasmin absolute india (from concrete)FL/FR
 jasmin absolute italy (from concrete)FL/FR
 jasmin absolute sambacFL/FR
 jasmin acetateFL/FR
 jasmin pyranolFR
para-jasmoneFR
 leerallFR
 lilyallFR
 lilyall / methyl anthranilate schiff's baseFR
 magnolia cyclohexanolFR
 magnolia decadienalFR
 magnolia indeneFR
 methoxycitronellalFR
 methyl dihydrojasmonateFL/FR
 muguet butanalFR
 muguet butanolFR
 muguet carboxaldehydeFR
 muguet ethanolFR
 muguet nitrileFR
 muguet propanolFR
 muguet shiseolFL/FR
cis-muguet shiseolFL/FR
 nerolFL/FR
 pentenyl cyclopentanoneFR
2-pentyl cyclopentan-1-olFR
 phenyl glycol diacetateFR
1-phenyl propyl butyrateFL/FR
 rose petal acetateFR
fruity
 benzyl propionateFL/FR
 methyl bicycloheptenyl methyloxirane carboxylateFR
 styralyl butyrateFL/FR
spicy
alpha-amyl cinnamyl alcoholFL/FR
 
For Flavor
 
No flavor group found for these
(E,E)-farnesolFL/FR
1-phenyl propyl butyrateFL/FR
citrus
 citronellyl oxyacetaldehydeFL/FR
(Z)-4-decenalFL/FR
 nerolFL/FR
earthy
alpha-amyl cinnamyl acetateFL/FR
floral
(E)-geranyl acetoneFL/FR
 geranyl acetoneFL/FR
 jasmin absolute (from pommade)FL/FR
 jasmin absolute egypt (from concrete)FL/FR
 jasmin absolute india (from concrete)FL/FR
 jasmin absolute italy (from concrete)FL/FR
 jasmin absolute sambacFL/FR
 jasmin acetateFL/FR
 methyl dihydrojasmonateFL/FR
cis-muguet shiseolFL/FR
 muguet shiseolFL/FR
fruity
 benzyl acetoneFL/FR
 benzyl propionateFL/FR
 styralyl butyrateFL/FR
honey
 benzyl phenyl acetateFL/FR
spicy
alpha-amyl cinnamyl alcoholFL/FR
 
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Potential Uses:
 floralFR
 jasminFR
 magnoliaFR
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Occurrence (nature, food, other): note
 not found in nature
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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
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