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2-Ethylcyclohexanol, mixture of cis and trans

2-Ethylcyclohexanol, mixture of cis and trans - CAS 3760-20-1

Catalog:	BB023357
Product Name:	2-Ethylcyclohexanol, mixture of cis and trans
CAS:	3760-20-1
Synonyms:	2-ethylcyclohexan-1-ol

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Computed Properties

IUPAC Name:	2-ethylcyclohexan-1-ol
Description:	2-Ethylcyclohexanol, mixture of cis and trans (CAS# 3760-20-1) is a useful research chemical.
Molecular Weight:	128.21
Molecular Formula:	C8H16O
Canonical SMILES:	CCC1CCCCC1O
InChI:	InChI=1S/C8H16O/c1-2-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3
InChI Key:	CFYUBZHJDXXXQE-UHFFFAOYSA-N
Boiling Point:	74-79 °C / 12 mmHg (lit.)
Density:	0.906 g/cm³
LogP:	1.94750

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

PMID	Publication Date	Title	Journal
10473585	19990910	Stereoselective carveol dehydrogenase from Rhodococcus erythropolis DCL14. A novel nicotinoprotein belonging to the short chain dehydrogenase/reductase superfamily	The Journal of biological chemistry

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P280, P305+P351+P338, and P310
Signal Word:	Danger

Complexity:	80.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.120115130
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.120115130
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1