trans-4-Octene - CAS 14850-23-8

Catalog:	BB010309
Product Name:	trans-4-Octene
CAS:	14850-23-8
Synonyms:	(E)-oct-4-ene

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Computed Properties

IUPAC Name:	(E)-oct-4-ene
Description:	trans-4-Octene (CAS# 14850-23-8) is a useful research chemical.
Molecular Weight:	112.21
Molecular Formula:	C8H16
Canonical SMILES:	CCCC=CCCC
InChI:	InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChI Key:	IRUCBBFNLDIMIK-BQYQJAHWSA-N
Boiling Point:	120.9 °C at 760 mmHg
Purity:	95 %
Density:	0.715 g/mL at 25 °C (lit.)
Appearance:	Colorless liquid
MDL:	MFCD00009476
LogP:	3.14280
Vapor Pressure:	17.8 [mmHg]

Publication Number	Title	Priority Date
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
JP-2021147287-A	Thermoplastic film and laminated glass	20200319

PMID	Publication Date	Title	Journal
21170462	20110207	Demonstration of remote steric differentiation of cis/trans alkene coordination in copper(I) complexes of aryl-substituted bis(2-pyridyl)amine	Dalton transactions (Cambridge, England : 2003)
17602534	20070803	Addition of the phenoxathiin cation radical to alkenes and nonconjugated dienes. Formation of (E)- and (Z)-(10-phenoxathiiniumyl)alkenes and (E)- and (Z)-(10-phenoxathiiniumyl)dienes on basic alumina	The Journal of organic chemistry
16262411	20051109	Kinetic and spectroscopic studies of the [palladium(Ar-bian)]-catalyzed semi-hydrogenation of 4-octyne	Journal of the American Chemical Society
11950291	20020419	Transition-metal-promoted hydroboration of alkenes: a unique reversal of regioselectivity	The Journal of organic chemistry

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

Complexity:	45.1
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:	3.6