Linalyl benzoate

CAS	126-64-7
Structure
Synonyms	Benzoic acid 1,5-dimethyl-1-vinyl-4-hexenyl ester
IUPAC Name	3,7-Dimethylocta-1,6-dien-3-yl benzoate
Molecular Weight	258.35
Canonical SMILES	CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1)C
InChI	InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3
InChI Key	BTJXBZZBBNNTOV-UHFFFAOYSA-N
Boiling Point	213 °C
Flash Point	>230 °F
Purity	95%+
Density	0.98 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Exact Mass	258.16197994
Monoisotopic Mass	258.16197994
Physical State	Liquid
Refractive Index	n20/D 1.508(lit.)
Topological Polar Surface Area	26.3 Ų