Cyclohexanone diethyl ketal - CAS 1670-47-9

Catalog:	BB012347
Product Name:	Cyclohexanone diethyl ketal
CAS:	1670-47-9
Synonyms:	1,1-diethoxycyclohexane

Technical Data

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Computed Properties

IUPAC Name:	1,1-diethoxycyclohexane
Description:	Cyclohexanone diethyl ketal (CAS# 1670-47-9 ) is a useful research chemical.
Molecular Weight:	172.26
Molecular Formula:	C10H20O2
Canonical SMILES:	CCOC1(CCCCC1)OCC
InChI:	InChI=1S/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3
InChI Key:	MWUDABUKTZAZCX-UHFFFAOYSA-N
Boiling Point:	206.4 ℃ at 760 mmHg
Flash Point:	60.2°C
Purity:	95 %
Density:	0.91 g/cm³
Solubility:	water, 39.61 mg/L @ 25 °C (est)
Appearance:	Clear colorless liquid
MDL:	MFCD00037723
LogP:	2.71980
Refractive Index:	n20/D 1.4360(lit.)

Publication Number	Title	Priority Date
CN-112980225-A	Novel polymerizable mesomorphic mixture coating and application thereof	20210225
CN-113004729-A	Novel polymerizable mesogenic mixture coating and application thereof in near-infrared band	20210225
WO-2021122673-A1	Ionic liquid for stabilizing viscosity of silicate-based coatings	20191217
WO-2020260133-A1	Water-emulsifiable isocyanates with improved properties	20190624
EP-3617243-A1	Method for the production of polyisocyanates comprising isocyanurate groups and their use	20180831

PMID	Publication Date	Title	Journal
22185116	20120119	Kinetics and mechanisms of the unimolecular elimination of 2,2-diethoxypropane and 1,1-diethoxycyclohexane in the gas phase: experimental and theoretical study	The journal of physical chemistry. A
20049766	20100101	Reductive splitting of cellulose in the ionic liquid 1-butyl-3-methylimidazolium chloride	ChemSusChem

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Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.146329876
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.146329876
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4