trans-2-Octene - CAS 13389-42-9

Catalog:	BB007832
Product Name:	trans-2-Octene
CAS:	13389-42-9
Synonyms:	(E)-oct-2-ene

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Computed Properties

IUPAC Name:	(E)-oct-2-ene
Description:	trans-2-Octene (CAS# 13389-42-9) is a useful research chemical.
Molecular Weight:	112.21
Molecular Formula:	C8H16
Canonical SMILES:	CCCCCC=CC
InChI:	InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChI Key:	ILPBINAXDRFYPL-HWKANZROSA-N
Boiling Point:	123 °C
Melting Point:	-94.04 °C
Purity:	95 %
Density:	0.718 g/mL at 25 °C (lit.)
Appearance:	Colorless liquid
Storage:	2-8 °C
MDL:	MFCD00009532
LogP:	3.14280
Vapor Pressure:	16.4 [mmHg]

Publication Number	Title	Priority Date
CN-112808306-A	Preparation method and application of metal oxygen cluster catalyst with stable organic acid	20210113
WO-2021201040-A1	Interlayer film for laminated glass, and laminated glass	20200331
WO-2021202283-A1	Polymerization of purge stream containing 1-octene	20200331
WO-2021202294-A1	POLYMERIZATION OF C6-C14 a-OLEFIN MONOMERS AND POLYMERS THEREOF	20200331
WO-2021202302-A1	Drag reducing agent	20200331

PMID	Publication Date	Title	Journal
22149490	20120106	Highly regioselective isomerization-hydroaminomethylation of internal olefins catalyzed by Rh complex with Tetrabi-type phosphorus ligands	Organic letters
19156283	20090207	Olefin coordination in copper(I) complexes of bis(2-pyridyl)amine	Dalton transactions (Cambridge, England : 2003)
19127989	20090205	Rate constants for the gas-phase reactions of OH radicals with a series of C6-C14 alkenes at 299 +/- 2 K	The journal of physical chemistry. A
18616258	20080821	Highly regioselective isomerization-hydroformylation of internal olefins to linear aldehyde using rh complexes with tetraphosphorus ligands	Organic letters
18284241	20080319	Facile and selective aliphatic C-H bond activation at ambient temperatures initiated by Cp*W(NO)(CH2CMe3)(eta(3)-CH2CHCHMe)	Journal of the American Chemical Society

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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, P273, P280, P301+P310, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	53.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	112.125200510
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.125200510
Rotatable Bond Count:	4
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7