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vetiver pentanone

Chemical Structure

General Material Information

Preferred name vetiver pentanone
Trivial Name 4-Cyclohexyl-4-methyl-2-pentanone
Short Description vetival (Symrise)
Formula C12 H22 O
CAS Number 4927-39-3
ECHA Number 225-562-6
FDA UNII D21000AYE2
Nikkaji Number J68.888F
xLogP3-AA 3.80 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • 4-cyclohexyl methyl-2-pentanone
  • cyclohexyl-4-methyl pentan-2-one
  • 4-cyclohexyl-4-methyl pentan-2-one
  • 4-cyclohexyl-4-methyl-2-pentanone
  • 4-cyclohexyl-4-methyl-pentan-2-one
  • 4-cyclohexyl-4-methylpentan-2-one
  • 2-pentanone, 4-cyclohexyl-4-methyl-
  • vetival (Symrise)
  • vetivertone
  • vetyval
  • 4-cyclohexyl-4-methylpentan-2-one
  • 2-Pentanone, 4-cyclohexyl-4-methyl-
  • 4-Cyclohexyl-4-methyl-2-pentanone
  • NSC 240005
  • Vetival

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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.29
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 182.30653381348
Specific gravity @ 25 °C
Pounds per Gallon 7.572 to 7.622
Refractive Index 1.4635 to 1.4695 @ 20 °C
Boiling Point 241 to 243°C @ 760 mm Hg
Vapor Pressure 0.049 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 3.714 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 25.66 mg/L @ 25 °C (est) Yes
Stability
AP roll-on 15% (very good) Unspecified
bleach (poor) Unspecified
body lotion (good) Unspecified
cleaner APC liquid (excellent) Unspecified
cleaner liquid citric acid (very good) Unspecified
detergent powder conc. (very good) Unspecified
shampoo/shower gel (very good) Unspecified
soap (very good) Unspecified

Organoleptic Properties

Odor Type: Floral
floral, woody, vetiver, waxy
Odor strength medium
Substantivity 20 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 100.00 %. floral woody vetiver waxy
Stable in: body lotion (good), shampoo (very good), soap (very good), ap roll-on (very good), powder (very good), cleaner citric (very good), cleaner apc (excellent), bleach (poor). Woody, vetiver, citrus, floral. gives a clean freshness to vetiver accords; gives tart and bitter elements to citrus top notes; underlines red fruit characteristics
General comment Mild woody, somewhat vetiveryl acetate-like
Arcadi Boix Camps, writing in 1985, says that this material “has a top note very typical of the essential oil of vetiver but without the woody note of vetiverol” but also points out that it is not a full substitute for the natural oil as it lacks the radiant effect. Floral, woody, vetiver, vetiveryl acetate, ambery

Potential Uses

Applications
Odor purposes Floral, Herbal, Mint, Vetiver, Woody
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:
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 vetiver pentanone usage levels up to:
8.0000 % in the fragrance concentrate.
Recommendation for vetiver pentanone 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):4927-39-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :78640
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-cyclohexyl-4-methylpentan-2-one
Chemidplus:0004927393