3,5-Dimethylcyclohexanol - CAS 5441-52-1

Catalog:	BB028651
Product Name:	3,5-Dimethylcyclohexanol
CAS:	5441-52-1
Synonyms:	3,5-dimethylcyclohexan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3,5-dimethylcyclohexan-1-ol
Description:	3,5-Dimethylcyclohexanol (CAS# 5441-52-1) is a mixture of isomers. 3,5-Dimethylcyclohexanol can be synthesized by the microbial transformation of 3,5-dimethylcyclohexanone using the plant pathogenic fungus, Glomerella cingulata.
Molecular Weight:	128.21
Molecular Formula:	C8H16O
Canonical SMILES:	CC1CC(CC(C1)O)C
InChI:	InChI=1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3
InChI Key:	WIYNOPYNRFPWNB-UHFFFAOYSA-N
Boiling Point:	185-186 °C (lit.)
Density:	0.892 g/cm³
Appearance:	Solid
LogP:	1.80340

Publication Number	Title	Priority Date
CN-112859516-A	Material for forming organic film, method for forming pattern, and polymer	20191128
EP-3828630-A1	Material for forming organic film, patterning process, and polymer	20191128
JP-2021084974-A	Organic film forming materials, pattern forming methods, and polymers	20191128
KR-20210066740-A	Material for forming organic film, patterning process, and polymer	20191128
US-2021163675-A1	Material for forming organic film, patterning process, and polymer	20191128

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	80.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.12011513
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.12011513
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2