2-Heptylcyclopentanone

Catalog	ACM137031-1
CAS	137-03-1
Structure
Synonyms	Alismone
IUPAC Name	2-Heptylcyclopentan-1-one
Molecular Weight	182.3
Molecular Formula	C12H22O
Canonical SMILES	CCCCCCCC1CCCC1=O
InChI	InChI=1S/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3
InChI Key	PJXHBTZLHITWFX-UHFFFAOYSA-N
Boiling Point	264 °C
Flash Point	98.6°C
Purity	95%+
Density	0.89 g/cm³ at 20 °C(lit.)
Solubility	water, 29 mg/L @ 20 °C (exp)
Appearance	Colorless to slight yellow liquid
Exact Mass	182.167065321
Monoisotopic Mass	182.167065321
Physical State	Liquid
Refractive Index	n20/D 1.4526(lit.)
Storage Conditions	Inert atmosphere,Room Temperature
Topological Polar Surface Area	17.1 Ų