CAS No.23089-26-1,(-)-Alpha-bisabolol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	23089-26-1
Name:	(-)-Alpha-bisabolol
Article Data:	29

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