(E)-3-Methyl-5-cyclotetradecen-1-one

CAS	259854-70-1
Structure
Synonyms	Teana musk
IUPAC Name	(5E)-3-Methylcyclotetradec-5-en-1-one
Molecular Weight	222.37
Canonical SMILES	CC1CC=CCCCCCCCCC(=O)C1
InChI	InChI=1S/C15H26O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h7,9,14H,2-6,8,10-13H2,1H3/b9-7+
InChI Key	ZFGBKXBPHOUSJX-VQHVLOKHSA-N
Boiling Point	329.2±31.0 °C
Flash Point	134 °C
Purity	95%+
Density	0.861±0.06 g/cm³
Exact Mass	222.198365449
Isomeric SMILES	CC1C/C=C/CCCCCCCCC(=O)C1
Monoisotopic Mass	222.198365449
Physical State	Liquid
Refractive Index	n20/D 1.485-1.490(lit.)
Topological Polar Surface Area	17.1 Ų