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(-)-Alpha-bisabolol

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Name

(-)-Alpha-bisabolol

EINECS 245-423-3
CAS No. 23089-26-1 Density 0.923 g/cm3
PSA 20.23000 LogP 4.23020
Solubility 22mg/L at 20℃ Melting Point N/A
Formula C15H26O Boiling Point 314.477 °C at 760 mmHg
Molecular Weight 222.371 Flash Point 113.197 °C
Transport Information N/A Appearance clear to yellowish liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23089-26-1 ((-)-Alpha-bisabolol) Hazard Symbols N/A
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, (-)-;

Article Data 29

(-)-Alpha-bisabolol 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

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