β-Bisabolol
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β-Bisabolol
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CAS No:
15352-77-9
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Formula:
C15H26O
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Chemical Name:
β-Bisabolol
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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
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CAS No:
Characteristics
20.2
4
0.921±0.06 g/cm3(Predicted)
305.7±21.0 °C(Predicted)
130.5ºC
1.495
7.57E-05mmHg at 25°C
Safety Information
|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