3-Heptanol

Catalog	ACM589822
CAS	589-82-2
Structure
Synonyms	1-Ethyl-1-pentanol
IUPAC Name	Heptan-3-ol
Molecular Weight	116.2
Molecular Formula	C7H16O
Canonical SMILES	CCCCC(CC)O
InChI	InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChI Key	RZKSECIXORKHQS-UHFFFAOYSA-N
Boiling Point	66 °C
Melting Point	-70 °C
Flash Point	130 °F
Purity	95%+
Density	0.818 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in alcohol
Exact Mass	116.12011513
Monoisotopic Mass	116.12011513
Physical State	Liquid
Refractive Index	n20/D 1.421(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	20.2 Ų