α,4-Dimethyl-α-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
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α,4-Dimethyl-α-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
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CAS No:
72691-24-8
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Formula:
C15H26O
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Chemical Name:
α,4-Dimethyl-α-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
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Synonyms:
3-Cyclohexene-1-methanol,α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-;3-Cyclohexene-1-methanol,α,4-dimethyl-α-(4-methyl-3-pentenyl)-;α,4-Dimethyl-α-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
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CAS No:
Description
Clear colourless liquid; Fruity nutty aroma with hints of coconut
Alpha-Bisabolol is a sesquiterpenoid.
α,4-Dimethyl-α-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol Basic Attributes
222.37 g/mol
222.37
276-310-7|208-205-9
606842
DTXSID5045964
Characteristics
20.2 Ų
0.9213 g/cm3 @ Temp: 20 °C
120-122 °C @ Press: 1 Torr
1.491-1.500
Practically insoluble or insoluble in water|Slightly soluble (in ethanol)
Safety Information
|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,4-Dimethyl-α-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol Use and Manufacturing
3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-penten-1-yl)-, (.alpha.R,1R)-rel-: ACTIVE
Flavoring Agents -> JECFA Flavorings Index|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
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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