1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester

CAS	35044-59-8
Structure
Synonyms	2,6,6-Trimethyl-1-ethoxycarbonyl-1,3-cyclohexadiene
IUPAC Name	Ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
Molecular Weight	194.27
Canonical SMILES	CCOC(=O)C1=C(C=CCC1(C)C)C
InChI	InChI=1S/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7H,5,8H2,1-4H3
InChI Key	KYEZYLFPHRVFBF-UHFFFAOYSA-N
Boiling Point	93-95 °C
Purity	90%+
Density	0.963±0.06 g/cm³
Exact Mass	194.130679813
Monoisotopic Mass	194.130679813
Physical State	Liquid
Topological Polar Surface Area	26.3 Ų