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amyl cyclopentanone propanone

Chemical Structure

General Material Information

Preferred name amyl cyclopentanone propanone
Trivial Name 3-(2-Oxopropyl)-2-pentylcyclopentanone
Short Description magnolione
Formula C13 H22 O2
CAS Number 40942-73-2
ECHA Number 255-149-6
FDA UNII Search
Nikkaji Number J72.738E
Beilstein Number 2102970
xLogP3-AA 2.50 (est)
NMR Predictor External link
Synonyms
  • 3-acetonyl-2-pentylcyclopentanone
  • cyclopentanone, 3-(2-oxopropyl)-2-pentyl-
  • magnolione
  • 2-pentyl-3-(2-propanone)-1-cyclopentanone
  • 3-(2-oxo propyl)-2-pentyl cyclopentan-1-one
  • 3-(2-oxo propyl)-2-pentyl cyclopentanone
  • 3-(2-oxo propyl)-2-pentylcyclopentan-1-one
  • 3-(2-oxo propyl)-2-pentylcyclopentanone
  • 3-(2-oxopropyl)-2-pentylcyclopentan-1-one
  • Cyclopentanone, 3-acetonyl-2-pentyl-
  • 3-(2-Oxopropyl)-2-pentylcyclopentanone
  • 2-Pentyl-3-(2-propanone)-1-cyclopentanone
  • Amylcyclopentanone propanone

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 210.31674194336
Boiling Point 313 to 314°C @ 760 mm Hg
Vapor Pressure 0.00049 mmHg @ 25 °C
Flash Point TCC Value 117.22 °C TCC
logP (o/w) 2.407 est
Solubility
alcohol Yes
water, 368.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
floral, magnolia, jasmin
General comment At 100.00 %. floral magnolia jasmin

Potential Uses

Applications
Odor purposes Floral, Jasmin, Magnolia
Cosmetic purposes Perfuming agents

Safety Information

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
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.

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