4-Methoxymethylcyclohexylmethanol - CAS 98955-27-2

Catalog:	BB060189
Product Name:	4-Methoxymethylcyclohexylmethanol
CAS:	98955-27-2
Synonyms:	4-(Methoxymethyl)-cyclohexanemethanol

Technical Data

IUPAC Name:	[4-(methoxymethyl)cyclohexyl]methanol
Description:	4-Methoxymethylcyclohexylmethanol is used in perfume compositions to give a stable fragrance like lily of the valley. It is also used as a reagent in the synthesis of 5-(cyclohexylmethylthio)-2-tert-butylpyridazin-3-ones and its analogs as acaricides and insecticides.
Molecular Weight:	158.24
Molecular Formula:	C9H18O2
Canonical SMILES:	COCC1CCC(CC1)CO
InChI:	InChI=1S/C9H18O2/c1-11-7-9-4-2-8(6-10)3-5-9/h8-10H,2-7H2,1H3
InChI Key:	KSIFEWSPJQDERU-UHFFFAOYSA-N
Solubility:	Acetontrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Clear Colorless Oil
Storage:	4°C
References:	Tanaka, S., et al. Jpn. Kokai Tokkyo Koho. JPВ 11035969В AВ 19990209. Feb 9, 1999; Bettarini, F., et al. Eur. Pat. Appl. EPВ 476573В A1В 19920325. Mar 25, 1992.

Complexity:	95.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.130679813
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.130679813
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1