Grundinformationen
- Standard-SMILES
CC(C)C12CCC(C)(O)C1C2- InChIKey
KXSDPILWMGFJMM-UHFFFAOYSA-N- Summenformel
- C10H18O
- Durchschnittliche Molmasse
- 154,25 g/mol
- Monoisotopische Masse
- 154,1357652
Überblick
Sabinene hydrate is a p-menthane monoterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
- IUPAC
- 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
Namen und Synonyme
Sabinenehydrate2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-olRefChem:910064208-911-7Sabinene hydrate546-79-24-Thujanol5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol(Z)-Sabinene hydrateFEMA No. 3239
Weitere Namen anzeigen
Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-cis-Sabinene hydrate4-Thujanol (natural)cis-SabinenehydrateBicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-; 4-Thujanol (6CI,7CI,8CI); 2-Methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol; Sabinene hydrateEINECS 208-911-7sabinene hydrate (cis-)
Datenbank-Bezeichner
- CAS
546-79-2- PubChem CID
- 62367
- DTXSID
DTXSID40862164- ChEMBL
CHEMBL5305985- ChEBI
CHEBI:16377- EC Number
- 208-911-7
- Nikkaji
- J52.222H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 187
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (4-Thujanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Pointtrans 193-196 °C; cis 195-200 °C
Refractive Indextrans, 1.443 (60 °C); cis, 1.449 (60 °C)
Physical Descriptionterpineol odour
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 78.3% (90 of 115) of all reports.
Warning
H226 (21.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-
Bicyclo3.1.0hexan-2-ol, 2-methyl-5-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (21.7%)
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-: ACTIVE
Zugehörige Reaktionen
2
Verknüpfte Notizen
Wird geladen…