3-(Hydroxymethyl)-2-heptanone

CAS	65405-68-7
Structure
Synonyms	3-Octanon-1-ol
IUPAC Name	3-(Hydroxymethyl)heptan-2-one
Molecular Weight	144.21
Canonical SMILES	CCCCC(CO)C(=O)C
InChI	InChI=1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3
InChI Key	MHOXVRWQBOAOAU-UHFFFAOYSA-N
Boiling Point	112-113 °C
Purity	95%+
Density	0.9374 g/cm³
Solubility	Slightly soluble in water; soluble in alcohol
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Physical State	Liquid
Refractive Index	n20/D 1.444-1.447(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų