2-(2-Isopropyl-5-methyl-1,4-cyclohexadien-1-yloxy)ethanol - CAS 856376-26-6

Catalog:	BB060562
Product Name:	2-(2-Isopropyl-5-methyl-1,4-cyclohexadien-1-yloxy)ethanol
CAS:	856376-26-6
Synonyms:	2-[[5-Methyl-2-(1-methylethyl)-1,4-cyclohexadien-1-yl]oxy]-

Technical Data

IUPAC Name:	2-(5-methyl-2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxyethanol
Description:	2-(2-Isopropyl-5-methyl-1,4-cyclohexadien-1-yloxy)ethanol is an intermediate in the synthesis of monoterpene compound that has a fresh minty camphor-like odour, and naturally occurs in extracts of commercial oil of peppermint.
Molecular Weight:	196.29
Molecular Formula:	C12H20O2
Canonical SMILES:	CC1=CCC(=C(C1)OCCO)C(C)C
InChI:	InChI=1S/C12H20O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h4,9,13H,5-8H2,1-3H3
InChI Key:	OCGBEFPSXNXGKL-UHFFFAOYSA-N
Solubility:	Chloroform, DCM
Appearance:	Light Yellow Oil
References:	Birch, A. J., et al. J. Chem. Soc., 2531 (1949).

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.146329876
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.146329876
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8