Vetivert acetate
Grundinformationen
- CAS
117-98-6- Standard-SMILES
CC(=O)OC1C=C(C)C2CC(=C(C)C)CC2C(C)C1- InChIKey
UAVFEMBKDRODDE-UHFFFAOYSA-N- Summenformel
- C17H26O2
- Durchschnittliche Molmasse
- 262,4 g/mol
- Monoisotopische Masse
- 262,19328007
Überblick
Vetiveryl acetate is a sesquiterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- Vetivert acetate
- IUPAC
- (4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate
- Englischer Name
- 1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl acetate
- Summenformel
- C17H26O2
- Molmasse
- 262.38714
Namen und Synonyme
Vetiveryl acetateVetivert acetate117-98-6Z5JO63XGNK6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, 6-acetateFEMA NO. 4218DTXSID608617504,8-dimethyl-2-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl acetate6-AZULENOL, 1,2,3,3a,4,5,6,8a-OCTAHYDRO-2-ISOPROPYLIDENE-4,8-DIMETHYL-, ACETATERefChem:1100971DTXCID30810634DTXSID201057385
Weitere Namen anzeigen
Einecs 204-225-71,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene1,2,3,3a,4,5,6,8a-Octahydro-2-isopropyliden-4,8-dimethylazulen-6-ylacetat1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-6-azuleno a1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-6-azulenoacetate1,2,3,3a,4,5,6,8a-Octahydro-4,8-dimethyl-2-(1-methylethylidene)azulen-6-ol acetate6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, acetateacetic acid 2-isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl ester
204-225-7Vetiver acetate62563-80-8Vetiverol, acetateVetiver acetate, Java1,2,3,3a,4,5,6,8a-Octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl acetate(4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetateVetiveryl acetate (Vetiveria zizanioides (L.) Nash)
Datenbank-Bezeichner
- CAS
117-98-6、62563-80-8- PubChem CID
- 8347
- DTXSID
DTXSID60861750- ChEBI
CHEBI:177505- UNII
- Z5JO63XGNK
- EC Number
- 204-225-7、263-597-9
- Nikkaji
- J35.248I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 427
Experimentelle und physikochemische Eigenschaften
Fragrances
Fragrance Ingredient (Vetiverol, acetate) -> IFRA transparency List
Fragrance Ingredient (Vetiveryl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Physical DescriptionColourless solid; Sweet woody aroma
Physikochemische Eigenschaften
- Siedepunkt
- 346.64 °C · 346.64°C (rough estimate)
- Dichte
- 1.0298 · 1.0298 (rough estimate)
- Brechungsindex
- 1.477 · 1.4770 (estimate)
- FEMA
- 4218 · 4218 | VETIVERYL ACETATE
- Geruch (Odor)
- 100 % · at 100.00 %. woody powdery root vetiver sweet dry sandal
- Geruchsart
- woody
- JECFA Number
- 1867 · 1867
- Henry's Law Constant
- 2.2 · 2.2×100 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 5.76 · 5.76
- EPA chemische Informationen
- 6 · 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, acetate (117-98-6)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 322 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 0.5% (1 of 182) of reports.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, acetate
Chemical: Vetiverol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Vetiverol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (20.9%)
Skin Sens. 1B (100%)
Sicherheitsdaten
- tsca
- TSCA listed
- Toxizität
- skn-rbt 500 mg/24H MOD FCTXAV 12,1011,74
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, 6-acetate: ACTIVE
Anbieter5 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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