(+)-α-Bisabolol
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(+)-α-Bisabolol
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CAS No:
23178-88-3
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Formula:
C15H26O
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Chemical Name:
(+)-α-Bisabolol
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Synonyms:
3-Cyclohexene-1-methanol,α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-,(αR,1R)-;5-Hepten-2-ol,6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-,(+)-;3-Cyclohexene-1-methanol,α,4-dimethyl-α-(4-methyl-3-pentenyl)-,[R-(R*,R*)]-;3-Cyclohexene-1-methanol,α,4-dimethyl-α-(4-methyl-3-pentenyl)-,(αR,1R)-;(αR,1R)-α,4-Dimethyl-α-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol;(+)-α-Bisabolol;d-α-Bisabolol;(+)-(1′R,2R)-α-Bisabolol;(+)-6R,7R-α-Bisabolol
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CAS No:
Characteristics
20.2
3.8
Clear colourless liquid; Fruity nutty aroma with hints of coconut
0.9213 g/cm3 @ Temp: 20 °C
120-122 °C @ Press: 1.0 Torr
1.491-1.500
Practically insoluble or insoluble in water
D20 +51.7°; D20 +57.04°
Safety Information
P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, P501
H317
|Warning|H317 (83.52%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 278 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(+)-α-Bisabolol Use and Manufacturing
Flavoring Agents -> JECFA Flavorings Index
3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-penten-1-yl)-, (.alpha.R,1R)-rel-: ACTIVE
Cosmetics -> Soothing
Flavoring Agents
Computed Properties
Molecular Weight:222.37
XLogP3:3.8
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
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes