| Preferred name | vetiveryl acetate |
| Trivial Name | (4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate |
| Formula | C17 H26 O2 |
| CAS Number | 117-98-6 |
| CAS Number | 62563-80-8 |
| FEMA Number | 4218 |
| Flavis Number | 9.821 |
| ECHA Number | 204-225-7 |
| FDA UNII | Z5JO63XGNK |
| Nikkaji Number | J35.248I |
| MDL | MFCD00046328 |
| COE Number | 11887 |
| xLogP3-AA | 3.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1867 vetiveryl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 62563-80-8 ; VETIVERYL ACETATE |
| Synonyms |
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| 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 |
| (4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 117-98-6 |
| Pubchem (cid): | 8347 |
| Pubchem (sid): | 134973539 |
| vetiveryl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 62563-80-8 |
| Pubchem (cid): | 8347 |
| Pubchem (sid): | 198824 |
| Publications by PubMed | |
| Unravelling the scent of vetiver: identification of character-impact compounds. | |
| (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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB37832 |
| FooDB: | FDB016981 |
| Export Tariff Code: | 2915.39.9050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 262.39260864258 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.146 to 8.446 |
| Refractive Index | 1.505 to 1.518 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.00012 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 5.386 est |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 0.2318 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Woody | |
| woody, powdery, rooty, vetiver, sweet, dry, sandalwood | |
| Odor strength | medium |
| Substantivity | 357 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 100.00 %. woody powdery root vetiver sweet dry sandal |
| Nice sophisticatedvetiver note. Onlyalcohols are acetylated. | Woody, warm |
| General comment | Strongly woody, characteristic vetivert |
| Blends-well-with - Vetiver Earthy-mossy-notes | Woody vetivert Sweet-and-dry fresh-woody |
| All the velvety-smooth character of the best vetiver, but without the harshness or smoky-notes that can be present in the natural oil. Produced from vetiver oil from Java. Creamy-smooth and softer than the Haiti derived variety. Note that in this product the vetiverol has been separated from the oil prior to acetylation, as opposed to acetylation of the whole oil, hence this has a different CAS number from the Haiti derived material. | Sweet-woody, creamy, fresh, dry. Exalting and very tenacious |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 Cosmetics Toxicology. Vol. 12, Pg. 1011, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 1011, 1974. | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Critical Effect: | |||
| Dermal sensitization and systemic toxicity | |||
| IFRA fragrance material specification: | |||
Acetylated vetiver oil should only be used as a fragrance ingredient if produced by methods which give products free from allergens. Such acetylated vetiver oils may be prepared by the following acetylation methods using acetic anhydride: without catalyst, at a temperature not exceeding 120°C. with ortho phosphoric acid at room temperature. with sodium acetate in toluene at reflux temperature. The first two products can be used in their crude form after the usual procedures, but may be further purified. In the last case, distillation is necessary. This recommendation is based on test results of RIFM with samples prepared according to different acetylation methods (private communication to IFRA). | |||
| View the IFRA Standard | |||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.50 % | |||
| Category 2: Products applied to the axillae | |||
| 0.50 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.50 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.90 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.10 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.10 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.10 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.033 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.098 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.10 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.10 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.033 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.20 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.20 % | |||
| Category 10B: Household aerosol/spray products | |||
| 3.50 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 0.033 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.033 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.011 (μg/capita/day) | ||
| Structure Class: | II | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 50.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 5.00000 | 25.00000 | |
| cheese: | 7.00000 | 35.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 10.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | 2.00000 | 10.00000 | |
| frozen dairy: | 7.00000 | 35.00000 | |
| fruit ices: | 10.00000 | 50.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 20.00000 | 100.00000 | |
| imitation dairy: | 7.00000 | 35.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 5.00000 | 25.00000 | |
| milk products: | 7.00000 | 35.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 2.00000 | 10.00000 | |
| processed fruits: | 7.00000 | 35.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 25.00000 | |
| snack foods: | - | - | |
| soft candy: | 20.00000 | 100.00000 | |
| soups: | 5.00000 | 25.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 5.00000 | 25.00000 | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 212: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 212 Revision 1 (FGE.212Rev1): alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19. View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):117-98-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8347 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WGK Germany:2 |
| (4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate |
| Chemidplus:0000117986 |
| vetiveryl acetate |
| Chemidplus:062563808 |