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| CAS No.: | 23089-26-1 |
|---|---|
| Name: | (-)-Alpha-bisabolol |
| Molecular Structure: | |
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| Formula: | C15H26O |
| Molecular Weight: | 222.371 |
| Synonyms: | 3-Cyclohexene-1-methanol,a,4-dimethyl-a-(4-methyl-3-pentenyl)-, (aS,1S)- (9CI);3-Cyclohexene-1-methanol,a,4-dimethyl-a-(4-methyl-3-pentenyl)-,[S-(R*,R*)]-;5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (-)-(8CI);(-)-(1'S,2S)-a-Bisabolol;(-)-(4S,8S)-a-Bisabolol;(-)-a-Bisabolol;Kamillosan;Levomenol;l-a-Bisabolol;a-(-)-Bisabolol;a-Bisabolol, (-)-; |
| EINECS: | 245-423-3 |
| Density: | 0.923 g/cm3 |
| Boiling Point: | 314.477 °C at 760 mmHg |
| Flash Point: | 113.197 °C |
| Solubility: | 22mg/L at 20℃ |
| Appearance: | clear to yellowish liquid |
| PSA: | 20.23000 |
| LogP: | 4.23020 |
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Specification
The Levomenol, with the CAS registry number 23089-26-1, is also known as ZINC01849759. It belongs to the product category of Miscellaneous Natural Products. Its EINECS registry number is 245-423-3. This chemical's molecular formula is C15H26O and molecular weight is 222.36634. Its IUPAC name is called (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol. This chemical is almost insoluble in water and glycerin, but well soluble in ethanol. It is used in various fragrances. It has also been used for hundreds of years in cosmetics because of its perceived skin healing properties.
Physical properties of Levomenol: (1)ACD/LogP: 5.07; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.494; (7)Molar Refractivity: 70.14 cm3; (8)Molar Volume: 240.9 cm3; (9)Surface Tension: 33.6 dyne/cm; (10)Density: 0.922 g/cm3; (11)Flash Point: 113.2 °C; (12)Enthalpy of Vaporization: 64.42 kJ/mol; (13)Boiling Point: 314.5 °C at 760 mmHg; (14)Vapour Pressure: 4E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@](C)(CC\C=C(/C)C)[C@@H]1C/C=C(/C)CC1
(2)InChI: InChI=1/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
(3)InChIKey: RGZSQWQPBWRIAQ-CABCVRREBV