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 |
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NCBI | Start search |
(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 |
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 |
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 |
Applications | |
Odor purposes | Floral , Herbal , Mint , Vetiver , Woody |
Cosmetic purposes | Perfuming agents |
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 |
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. |
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 |