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2-pentyl-2-cyclohexen-1-one

Chemical Structure

General Material Information

Preferred name 2-pentyl-2-cyclohexen-1-one
Trivial Name 2-Pentyl-2-cyclohexen-1-one
Short Description 2-cyclohexen-1-one, 2-pentyl-
Formula C11 H18 O
CAS Number 25435-63-6
ECHA Number 246-978-4
FDA UNII Search
Nikkaji Number J358.276K
xLogP3-AA 2.90 (est)
NMR Predictor External link
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
  • 3-pentylcyclohex-2-en-1-one
  • 2-Cyclohexen-1-one, 2-pentyl-
  • 2-Pentyl-2-cyclohexenone

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

Suppliers

BOC Sciences

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 166.26365661621
Boiling Point 257 to 258°C @ 760 mm Hg
Vapor Pressure 0.014 mmHg @ 25 °C
Flash Point TCC Value 108.8 °C TCC
logP (o/w) 2.643 est
Solubility
alcohol Yes
water, 43.35 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
muguet, orange, coconut, lactonic, jasmin
General comment At 100.00 %. muguet orange coconut lactonic jasmin

Potential Uses

Applications
Odor purposes Jasmin

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:
Not determined
Dermal Toxicity:
Not determined
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 2-pentyl-2-cyclohexen-1-one 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):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