2-Methyl-2-heptene - CAS 627-97-4

Catalog:	BB031804
Product Name:	2-Methyl-2-heptene
CAS:	627-97-4
Synonyms:	2-methylhept-2-ene

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Computed Properties

IUPAC Name:	2-methylhept-2-ene
Description:	2-Methyl-2-heptene (CAS# 627-97-4) is an isotope analog of Methyl Heptadecanoate. Methyl heptadecanoate is used in biological studies for the formation of beef flavor precursors and its correlation with chemical parameters during the controlled thermal oxidation of tallow.
Molecular Weight:	112.21
Molecular Formula:	C8H16
Canonical SMILES:	CCCCC=C(C)C
InChI:	InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3
InChI Key:	WEPNJTDVIIKRIK-UHFFFAOYSA-N
Boiling Point:	122 °C (lit.)
Density:	0.726 g/cm³
MDL:	MFCD00027278
LogP:	3.14280

Publication Number	Title	Priority Date
CN-113304780-A	Use of branched olefin hydroformylation catalyst composition and hydroformylation process	20210616
CN-112430178-A	Production process of industrial isopentenol	20210126
CN-112430178-B	Production process of industrial isopentenol	20210126
CN-112898112-A	Method and apparatus for separating hydrocarbon components from oxygenates	20210126
CN-112430175-A	Method and device for producing isooctane oil from mixed C4	20201106

PMID	Publication Date	Title	Journal
17107043	20061123	Palladium nanoparticles stabilized by alkylated polyethyleneimine as aqueous biphasic catalysts for the chemoselective stereocontrolled hydrogenation of alkenes	Organic letters
15535727	20041117	Kinetics of radical heterolysis reactions forming alkene radical cations	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, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	66.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
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:	3
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8