(S)-3,7-Dimethyl-7-octen-1-ol

CAS	6812-78-8
Structure
Synonyms	3(S)-Citronelol
IUPAC Name	(3S)-3,7-Dimethyloct-7-en-1-ol
Molecular Weight	156.26
Canonical SMILES	CC(CCCC(=C)C)CCO
InChI	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3/t10-/m0/s1
InChI Key	JGQFVRIQXUFPAH-JTQLQIEISA-N
Boiling Point	68-70 °C
Melting Point	-4.05 °C
Flash Point	210 °F
Purity	95%
Density	0.865 g/mL at 25 °C(lit.)
Solubility	Insoluble in glycerol, water; soluble in most fixed oils, propylene glycol
Exact Mass	156.151415257
Isomeric SMILES	C[C@@H](CCCC(=C)C)CCO
Monoisotopic Mass	156.151415257
Odor	Pronounced rose-like aroma
Physical State	Liquid
Refractive Index	n20/D 1.469(lit.)
Topological Polar Surface Area	20.2 Ų