1-Methyl-1-cyclohexene - CAS 591-49-1

Catalog:	BB030287
Product Name:	1-Methyl-1-cyclohexene
CAS:	591-49-1
Synonyms:	1-methylcyclohexene

Technical Data

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Computed Properties

IUPAC Name:	1-methylcyclohexene
Description:	1-Methyl-1-cyclohexene (CAS# 591-49-1) is a useful research chemical.
Molecular Weight:	96.17
Molecular Formula:	C7H12
Canonical SMILES:	CC1=CCCCC1
InChI:	InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChI Key:	CTMHWPIWNRWQEG-UHFFFAOYSA-N
Boiling Point:	110-111 °C
Purity:	98 %
Density:	0.811 g/cm³
Appearance:	Colourless liquid
MDL:	MFCD00001548
LogP:	2.50670
Vapor Pressure:	30.6 [mmHg]

Publication Number	Title	Priority Date
WO-2015197533-A1	Dishwasher detergent comprising phosphate-containing polymers	20140627
EP-2955198-A1	(Ethylene, vinyl acetal) copolymers and their use in lithographic printing plate precursors	20140613
WO-2015189092-A1	(ethylene, vinyl acetal) copolymers and their use in lithographic printing plate precursors	20140613
WO-2015181559-A1	Pyrrolobenzodiazepine compounds for treating lymphoma	20140530
EP-2950143-A1	Resist composition and patterning process	20140528

PMID	Publication Date	Title	Journal
22971012	20120927	Kinetics and products of the reactions of OH radicals with cyclohexene, 1-methyl-1-cyclohexene, cis-cyclooctene, and cis-cyclodecene	The journal of physical chemistry. A
21541428	20110901	Chirogenic [3 + 2]-photocycloaddition reactions of 2-substituted naphthoquinones with cyclic alkenes	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
21442094	20110621	Pressure dependent mechanistic branching in the formation pathways of secondary organic aerosol from cyclic-alkene gas-phase ozonolysis	Physical chemistry chemical physics : PCCP
21147335	20110115	Effectiveness of different solid-phase microextraction fibres for differentiation of selected Madeira island fruits based on their volatile metabolite profile--identification of novel compounds	Talanta
20578707	20100722	Ozonolysis of cyclic alkenes as surrogates for biogenic terpenes: primary ozonide formation and decomposition	The journal of physical chemistry. A

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	80
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.093900383
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	96.093900383
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4