Alpha-Bisabolol

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Catalog Number
ACM515695
Product Name
Alpha-Bisabolol
Structure
Structure
CAS
515-69-5
Category
Main Products
Synonyms
6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepteno
IUPAC Name
(2R)-6-Methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
Molecular Weight
222.37
Molecular Formula
C15H26O
Canonical SMILES
CC1=CCC(CC1)C(C)(CCC=C(C)C)O
InChI
InChI=1S/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+/m0/s1
InChI Key
RGZSQWQPBWRIAQ-LSDHHAIUSA-N
Boiling Point
154-156 °C
Melting Point
25 °C
Flash Point
135 °C
Density
0.93 g/mL at 20 °C(lit.)
Solubility
Soluble in alcohol, natural mineral, synthetic oils, insoluble in water
Appearance
Cear colourless liquid
Storage
Refrigerator
Complexity
284
EC Number
208-205-9
Exact Mass
222.198365449
HS Code
29061900
Isomeric SMILES
CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O
LogP
4.23020
Monoisotopic Mass
222.198365449
Physical State
Liquid
pKa
15.04±0.29(Predicted)
PSA
2.23
Refractive Index
n20/D 1.496
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Conditions
Keep tightly closed. Store in a cool dry place.
Topological Polar Surface Area
20.2 Ų
WGK Germany
2
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