amyl cyclopentanone propanone
magnolione
 
Notes:
None found
  • Penta International
    • Penta International Corporation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      15-81800 3-(2-OXOPROPYL)-2-PENTYLCYCLOPENTANONE
       
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Fragrance Demo Formulas
3-(2-oxopropyl)-2-pentylcyclopentan-1-one (Click)
CAS Number: 40942-73-2Picture of molecule
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
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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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 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
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 floral  magnolia  jasmin  
Odor Description:
at 100.00 %. 
floral magnolia jasmin
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
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
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
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
 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 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
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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
(E)-geranyl acetoneFL/FR
 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
 nerolFL/FR
 pentenyl cyclopentanoneFR
 phenyl glycol diacetateFR
1-phenyl propyl butyrateFL/FR
 rose petal acetateFR
fruity
 benzyl propionateFL/FR
 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
 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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