Bicyclohexyl - CAS 92-51-3

Catalog:	BB040548
Product Name:	Bicyclohexyl
CAS:	92-51-3
Synonyms:	cyclohexylcyclohexane

Technical Data

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Computed Properties

IUPAC Name:	cyclohexylcyclohexane
Description:	Bicyclohexyl (CAS# 92-51-3) is a hydrocarbon component present in diesel fuel.
Molecular Weight:	166.30
Molecular Formula:	C12H22
Canonical SMILES:	C1CCC(CC1)C2CCCCC2
InChI:	InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
InChI Key:	WVIIMZNLDWSIRH-UHFFFAOYSA-N
Boiling Point:	227 °C
Purity:	98 %
Density:	0.864 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00003815
LogP:	4.14700
Vapor Pressure:	0.1 [mmHg]

Publication Number	Title	Priority Date
CN-113088297-A	Liquid-crystalline medium comprising polymerisable compounds	20210309
KR-102126803-B1	Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof	20200210
CN-113072962-A	Liquid-crystalline medium	20191217
EP-3839008-A1	Liquid crystal medium	20191217
JP-2021105162-A	Liquid crystal medium	20191217

PMID	Publication Date	Title	Journal
34000504	20211101	A mixture of 15 phthalates and pesticides below individual chemical no observed adverse effect levels (NOAELs) produces reproductive tract malformations in the male rat	Environment international
30605331	20190214	Design and in Vivo Characterization of A1 Adenosine Receptor Agonists in the Native Ribose and Conformationally Constrained (N)-Methanocarba Series	Journal of medicinal chemistry
22692376	20120821	Crystal structures and magnetic properties of (4,4'-phenylazophenyl)diammonium(crown ethers)[Ni(dmit)2]2 crystals	Dalton transactions (Cambridge, England : 2003)
22628195	20120625	Gel sculpture: moldable, load-bearing and self-healing non-polymeric supramolecular gel derived from a simple organic salt	Chemistry (Weinheim an der Bergstrasse, Germany)
22589787	20120401	trans-Dichloridobis[dicyclo-hex-yl(phen-yl)phosphane-κP]palladium(II)	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Other Alkanes

[112-95-8]
Eicosane
[696-29-7]
Isopropylcyclohexane
[629-78-7]
Heptadecane
[1120-21-4]
Undecane
[768-91-2]
1-Methyladamantane
[630-03-5]
Nonacosane

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GHS Hazard Statement:	H304 (54.94%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement:	P264, P273, P280, P301+P310, P302+P352, P305+P351+P338, P321, P331, P332+P313, P337+P313, P362, P391, P405, and P501
Signal Word:	Danger

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.172150702
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.172150702
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7