Alpha-Bisabolol

Catalog	ACM515695
CAS	515-69-5
Structure
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
Purity	95%+
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
Exact Mass	222.198365449
Isomeric SMILES	CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O
Monoisotopic Mass	222.198365449
Physical State	Liquid
Refractive Index	n20/D 1.496
Storage Conditions	Keep tightly closed. Store in a cool dry place.
Topological Polar Surface Area	20.2 Ų