Valencene

Catalog	ACM4630073
CAS	4630-07-3
Structure
Synonyms	3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
IUPAC Name	(3R,4aS,5R)-4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
Molecular Weight	204.35
Molecular Formula	C15H24
Canonical SMILES	CC1CCC=C2C1(CC(CC2)C(=C)C)C
InChI	InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
InChI Key	QEBNYNLSCGVZOH-NFAWXSAZSA-N
Boiling Point	274 °C
Flash Point	>230 °F
Purity	95%
Density	0.92 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Exact Mass	204.187800766
Isomeric SMILES	C[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(=C)C)C
Monoisotopic Mass	204.187800766
Physical State	Oily liquid
Refractive Index	n20/D 1.504(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	0 Ų