trans-3-Octene - CAS 14919-01-8

Catalog:	BB010383
Product Name:	trans-3-Octene
CAS:	14919-01-8
Synonyms:	(E)-oct-3-ene

Technical Data

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Computed Properties

IUPAC Name:	(E)-oct-3-ene
Description:	trans-3-Octene (CAS# 14919-01-8 ) is a useful research chemical.
Molecular Weight:	112.21
Molecular Formula:	C8H16
Canonical SMILES:	CCCCC=CCC
InChI:	InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
InChI Key:	YCTDZYMMFQCTEO-FNORWQNLSA-N
Boiling Point:	120.9 °C at 760 mmHg
Purity:	95 %
Density:	0.716 g/mL at 25 °C(lit.)
Appearance:	Colorless clear liquid
MDL:	MFCD00039971
LogP:	3.14280

Publication Number	Title	Priority Date
EP-2952096-A1	Method for controlling arthropod pest	20130130
US-2015344466-A1	Method for controlling arthropod pest	20130130
EP-2813493-A1	Amide compound and use thereof for pest control	20120210
US-2015005348-A1	Amide compound and use thereof for pest control	20120210
US-2011288340-A1	Method for manufacturing ketone	20081125

PMID	Publication Date	Title	Journal
22713106	20120725	Borenium ion catalyzed hydroboration of alkenes with N-heterocyclic carbene-boranes	Journal of the American Chemical Society
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)
19156283	20090207	Olefin coordination in copper(I) complexes of bis(2-pyridyl)amine	Dalton transactions (Cambridge, England : 2003)
22445048	20080301	Multivariate study of different beef quality traits from local Spanish cattle breeds	Animal : an international journal of animal bioscience
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

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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:	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:	3.6