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β-Bisabolol

β-Bisabolol structure

CAS No:
15352-77-9
Formula:
C15H26O
Chemical Name:
β-Bisabolol
Synonyms:
3-Cyclohexen-1-ol,1-[(1S)-1,5-dimethyl-4-hexen-1-yl]-4-methyl-,(1S)-;3-Cyclohexen-1-ol,1-(1,5-dimethyl-4-hexenyl)-4-methyl-;3-Cyclohexen-1-ol,1-(1,5-dimethyl-4-hexenyl)-4-methyl-,[S-(R*,R*)]-;3-Cyclohexen-1-ol,1-[(1S)-1,5-dimethyl-4-hexenyl]-4-methyl-,(1S)-;(1S)-1-[(1S)-1,5-Dimethyl-4-hexen-1-yl]-4-methyl-3-cyclohexen-1-ol;β-Bisabolol
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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β-Bisabolol Basic Attributes

Molecular Weight：

222.372

Exact Mass：

222.37

HScode：

2906195000

Characteristics

PSA：

20.2

XLogP3：

Density：

0.921±0.06 g/cm3(Predicted)

Boiling Point：

305.7±21.0 °C(Predicted)

Flash Point：

130.5ºC

Refractive Index：

1.495

Vapor Pressure：

7.57E-05mmHg at 25°C

Safety Information

GHS Classification：

|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 13 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:222.37
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:222.198365449
Monoisotopic Mass:222.198365449
Topological Polar Surface Area:20.2
Heavy Atom Count:16
Complexity:284
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 15352-77-9

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CAS No.: 15352-77-9

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Guide of β-Bisabolol

Basic Attributes
Characteristics
Safety Information
Computed Properties
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β-Bisabolol

SDS

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