Isopropylcyclohexane - CAS 696-29-7

Catalog:	BB033901
Product Name:	Isopropylcyclohexane
CAS:	696-29-7
Synonyms:	propan-2-ylcyclohexane

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Computed Properties

IUPAC Name:	propan-2-ylcyclohexane
Description:	Isopropylcyclohexane (CAS# 696-29-7 ) is a useful research chemical.
Molecular Weight:	126.24
Molecular Formula:	C9H18
Canonical SMILES:	CC(C)C1CCCCC1
InChI:	InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChI Key:	GWESVXSMPKAFAS-UHFFFAOYSA-N
Boiling Point:	155-155 °C
Melting Point:	-129 °F
Flash Point:	96 °F
Density:	0.8 g/cm³
Solubility:	3.949 mg/L at 25 °C (est)
Appearance:	Colorless liquid.
Storage:	Flammables area
LogP:	3.22270
Vapor Pressure:	4.8 [mmHg]

Publication Number	Title	Priority Date
WO-2015194887-A1	Ligand compound, organic chrome compound, catalyst system for olefin oligomerization, and method for oligomerizing olefin using same	20140618
EP-2955576-A1	Chemically amplified positive resist composition and patterning process	20140609
WO-2015181286-A1	Use of polypeptide	20140528
WO-2015177554-A1	Method of making an electrode	20140522
US-2015344489-A1	Oxindole compounds carrying a co-bound spiro substituent and use thereof for treating vasopressin-related diseases	20140515

PMID	Publication Date	Title	Journal
22068299	20111221	Cyclohexyl 'base pairs' stabilize duplexes and intensify pyrene fluorescence by shielding it from natural base pairs	Organic & biomolecular chemistry
20944862	20101207	Molecular dynamics simulations of structure and dynamics of organic molecular crystals	Physical chemistry chemical physics : PCCP
19334733	20090430	Rate constants of nine C6-C9 alkanes with OH from 230 to 379 K: chemical tracers for [OH]	The journal of physical chemistry. A

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	68.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.140850574
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	126.140850574
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3