Octahydro-2H-1-benzopyran-2-one

Catalog	ACM4430313
CAS	4430-31-3
Structure
Synonyms	Octahydrocoumarin
IUPAC Name	3,4,4a,5,6,7,8,8a-Octahydrochromen-2-one
Molecular Weight	154.21
Molecular Formula	C9H14O2
Canonical SMILES	C1CCC2C(C1)CCC(=O)O2
InChI	InChI=1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2
InChI Key	MSFLYJIWLHSQLG-UHFFFAOYSA-N
Boiling Point	145 °C
Flash Point	>230 °F
Purity	95%+
Density	1.092 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Exact Mass	154.099379685
Monoisotopic Mass	154.099379685
Physical State	Liquid
Refractive Index	n20/D 1.492(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	26.3 Ų