Caryophyllene acetate

CAS	57082-24-3
Synonyms	Beta-Caryophyllene alcohol acetate
IUPAC Name	[(1R,2S,5R,8S)-4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl] acetate
Molecular Weight	264.4
Canonical SMILES	CC(=O)OC12CCCC(C1)(CCC3C2CC3(C)C)C
InChI	InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3/t13-,14+,16+,17-/m1/s1
InChI Key	SJDDHMSVZMBJPH-YQFWSFKMSA-N
Boiling Point	347.63 °C
Flash Point	>93 °C
Purity	95%+
Density	1.0213 g/mL at 20 °C(lit.)
Exact Mass	264.208930132
Isomeric SMILES	CC(=O)O[C@]12CCC[C@](C1)(CC[C@@H]3[C@@H]2CC3(C)C)C
Monoisotopic Mass	264.208930132
Physical State	Liquid
Refractive Index	n20/D 1.4510(lit.)
Topological Polar Surface Area	26.3 Ų