1-Hexanol,3,5,5-trimethyl-,acetate

CAS	58430-94-7
Structure
Synonyms	Acetic acid 3,5,5-trimethyl ester
IUPAC Name	3,5,5-Trimethylhexyl acetate
Molecular Weight	186.29
Canonical SMILES	CC(CCOC(=O)C)CC(C)(C)C
InChI	InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
InChI Key	DGKXDLCVQSQVBC-UHFFFAOYSA-N
Boiling Point	209 °C
Melting Point	-26 °C
Flash Point	79 °C
Purity	95%+
Density	0,87 g/cm³
Exact Mass	186.16197994
Monoisotopic Mass	186.16197994
Physical State	Liquid
Refractive Index	n20/D 1.420-1.423(lit.)
Topological Polar Surface Area	26.3 Ų