Apritone

Catalog	ACM68133799
CAS	68133-79-9
Synonyms	Geranyl cyclopentenone
IUPAC Name	2-[(2E)-3,7-Dimethylocta-2,6-dienyl]cyclopentan-1-one
Molecular Weight	220.35
Molecular Formula	C15H24O
Canonical SMILES	CC(=CCCC(=CCC1CCCC1=O)C)C
InChI	InChI=1S/C15H24O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10+
InChI Key	ZNSALEJHPSBXDK-JLHYYAGUSA-N
Boiling Point	309.9±11.0 °C
Flash Point	139 °C
Purity	95%+
Density	0.911±0.06 g/cm³
Solubility	Insoluble in water; soluble in fats
Exact Mass	220.182715385
Isomeric SMILES	CC(=CCC/C(=C/CC1CCCC1=O)/C)C
Monoisotopic Mass	220.182715385
Odor	Long lasting apricot fruity note
Physical State	Liquid
Refractive Index	n20/D 1.482-1.489(lit.)
Topological Polar Surface Area	17.1 Ų