| Fragrance Demo Formulas |
| Name: | 4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol |
| CAS Number: | 89-88-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 201-949-5 |
| FDA UNII: | 627QG30491 |
| Nikkaji Web: | J182.066D |
| CoE Number: | 10321 |
| XlogP3-AA: | 3.00 (est) |
| Molecular Weight: | 220.35548000 |
| Formula: | C15 H24 O |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| Name: | (5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-ol |
| CAS Number: | 68129-81-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 268-578-9 |
| FDA UNII: | Search |
| XlogP3-AA: | 3.30 (est) |
| Molecular Weight: | 220.35548000 |
| Formula: | C15 H24 O |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | yellow to pale green clear viscous liquid to solid (est) |
| Assay: | 95.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98400 to 1.00400 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 8.188 to 8.354
|
| Specific Gravity: | 0.98500 to 1.00500 @ 20.00 °C.
|
| Pounds per Gallon - est.: | 8.206 to 8.372
|
| Refractive Index: | 1.52100 to 1.52700 @ 20.00 °C.
|
| Melting Point: | 69.00 to 70.00 °C. @ 760.00 mm Hg
|
| Boiling Point: | 322.16 °C. @ 760.00 mm Hg (est)
|
| Vapor Pressure: | 0.000022 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. )
|
| logP (o/w): | 4.578 (est) |
| Soluble in: |
| | alcohol | | | water, 9.203 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
| Stability: |
| | non-discoloring in most media |
Organoleptic Properties:
| Odor Type: woody |
| Odor Strength:medium |
| Substantivity:341 hour(s) at 100.00 % |
| sweet balsamic woody rooty sandalwood |
Odor Description:at 100.00 %. sweet balsam woody root sandalwood
Luebke, William tgsc, (1986) |
| Odor sample from: International Flavors & Fragrances Inc. |
| Flavor Type: woody |
| woody balsamic floral powdery guaiacwood sawdust sage clary sage earthy |
Taste Description: sweet woody balsamic floral powdery guaiacwood sawdust sage clary sage earthy
Luebke, William tgsc, (1986) |
| Odor and/or flavor descriptions from others (if found). |
| Perfumery Laboratory |
| VETIVEROL EXTRA Nature 100% IFF (VETYVEROL EXTRA natural 100% (ex vetyver Haiti) IFF) |
| Odor Description:Woody, balsamic, sweet flavor with a hint of sandalwood and a light note of moist soil |
Cosmetic Information:
Suppliers:
| Arora Aromatics |
| Vetiverol
|
| Associate Allied Chemicals |
| Vetiverol
|
| About |
| Berjé |
| Vetyverol
|
| Media |
| BOC Sciences |
| For experimental / research use only. |
| 1,2,3,3A,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulen-6-ol
|
| Bontoux |
| VETYVEROL NATURAL ISOLATE
|
| Ernesto Ventós |
| VETIVEROL (EX VETIVER HAITI)
|
| Ernesto Ventós |
| VETIVEROL NATURAL (EX VETIVER BRASIL)
Odor: WOODY, EARTHY, DRY, SWEET, WARM |
| Fleurchem |
| vetiverol
|
| Indukern F&F |
| VETIVEROL
Odor: SWEET, BALSAMIC, WOODY |
| Lluch Essence |
| VETYVEROL NATURAL
|
| Lluch Essence |
| VETYVEROL
|
| Moellhausen |
| VETIVEROL
Odor: warm, balsamic, earthy, rooty; characteristic vertivert oil with the intense animal like/costus |
| Penta International |
| VETIVEROL NATURAL
|
| Penta International |
| VETIVEROL
|
| Perfumer Supply House |
| Vetiverol ex Vetiver Haiti (Ventos)
Odor: extremely rich, sweet, balsamic, rooty, woody note |
| Perfumery Laboratory |
| VETIVEROL EXTRA Nature 100% IFF (VETYVEROL EXTRA natural 100% (ex vetyver Haiti) IFF)
Odor: Woody, balsamic, sweet flavor with a hint of sandalwood and a light note of moist soil |
| Perfumery Laboratory |
| VETIVEROL natural isolate Robertet (Vetyverol natural isolate (ex vetyver Haiti)
Odor: Woody, balsamic, sweet aroma with a touch of sandalwood and a light note of moist soil |
| R C Treatt & Co Ltd |
| Vetiverol
|
| Reincke & Fichtner |
| Vetiverol natural
|
| SRS Aromatics |
| VETIVEROL EXTRA
|
| Stort Chemicals |
| Vetiverol
|
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: | | 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 |
| Recommendation for vetiverol usage levels up to: | | | 10.0000 % in the fragrance concentrate.
|
| |
| 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 |
Safety References:
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
|
List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
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):89-88-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :101549 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol |
| Chemidplus:0000089883 |
| (5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-ol |
| Chemidplus:068129817 |
References:
| | 4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 89-88-3 |
| Pubchem (cid): | 101549 |
| Pubchem (sid): | 135058820 |
| | (5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-ol |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68129-81-7 |
| Pubchem (cid): | 3085365 |
| Pubchem (sid): | 3887857 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 6- | azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)- | | 4,8- | dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol | | (5R,6R)-6,10- | dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-ol | | 1,2,3,3a,4,5,6,8a- | octahydro-2-isopropylidene-4,8-dimethyl azulen-6-ol | | 1,2,3,3a,4,5,6,8a- | octahydro-2-isopropylidene-4,8-dimethylazulen-6-ol | | 1,2,3,3a,4,5,6,8a- | octahydro-4,8-dimethyl-2-(1-methyl ethylidene)-6-azulenol | | | octahydro-7,7-dimethyl-8-methylene-1H-3alpha,6-methanozulene-3-methanol | | 2-iso | propylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulen-6-ol | | | vetiverol (ex vetyver) | | | vetiverol haiti | | | vetiverol natural | | | vetyverol | | | vetyverol natural isolate |
Articles:
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