cis-1,4-Hexadiene - CAS 7318-67-4

Catalog:	BB034792
Product Name:	cis-1,4-Hexadiene
CAS:	7318-67-4
Synonyms:	(4Z)-hexa-1,4-diene

Technical Data

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Computed Properties

IUPAC Name:	(4Z)-hexa-1,4-diene
Description:	cis-1,4-Hexadiene (CAS# 7318-67-4 ) is a useful research chemical.
Molecular Weight:	82.14
Molecular Formula:	C6H10
Canonical SMILES:	CC=CCC=C
InChI:	InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-
InChI Key:	PRBHEGAFLDMLAL-XQRVVYSFSA-N
Boiling Point:	65-66 °C (lit.)
Purity:	95 %
Density:	0.707 g/mL at 20 °C(lit.)
LogP:	2.13860

Publication Number	Title	Priority Date
US-2020299130-A1	Heterogeneous hydrogen-catalyst reactor	20190319
CN-107245376-B	Litchi wood smoking spice and preparation method thereof	20170712
CN-110603240-A	Synthesis of pheromones and related substances via olefin metathesis	20170217
JP-2020507614-A	Method for synthesizing pheromones and related materials by olefin metathesis	20170217
US-2020039900-A1	Synthesis of pheromones and related materials via olefin metathesis	20170217

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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, P264, P270, P280, P301+P310, P303+P361+P353, P321, P330, P331, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	51.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	82.078250319
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	82.078250319
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4