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vetiver pentanone
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 |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |
Suppliers
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 |