Methyl 2-Hexenoate - CAS 2396-77-2

Catalog:	BB018267
Product Name:	Methyl 2-Hexenoate
CAS:	2396-77-2
Synonyms:	(E)-2-hexenoic acid methyl ester; methyl (E)-hex-2-enoate

Technical Data

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Computed Properties

IUPAC Name:	methyl (E)-hex-2-enoate
Description:	Methyl 2-Hexenoate (CAS# 2396-77-2 ) is a useful research chemical.
Molecular Weight:	128.17
Molecular Formula:	C7H12O2
Canonical SMILES:	CCCC=CC(=O)OC
InChI:	InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+
InChI Key:	GFUGBRNILVVWIE-AATRIKPKSA-N
Boiling Point:	149.3 °C at 760 mmHg
Density:	0.907 g/cm³
Solubility:	very slightly
Appearance:	Colourless mobile liquid
MDL:	MFCD00048798
LogP:	1.51570

Publication Number	Title	Priority Date
EP-3704954-A1	Mixture comprising d-allulose and taste modifying compounds	20190305
WO-2020177936-A1	Mixtures comprising rare sugars and taste modifying compounds	20190305
WO-2020178030-A1	Mixture comprising d-allulose and taste modifying compounds	20190305
CN-113507843-A	Mixtures comprising rare sugars and taste modifying compounds	20190305
CN-109655559-A	GC Ã- GC-TOFMS detection method of volatile flavor in a kind of the operatic circle	20190115

PMID	Publication Date	Title	Journal
17298097	20070316	A versatile strategy for divergent and diastereoselective synthesis of natural product-like polyhydroxylated indolizidines	The Journal of organic chemistry
16122260	20050902	A one-pot formal [4 + 2] cycloaddition approach to substituted piperidines, indolizidines, and quinolizidines. total synthesis of indolizidine (-)-209I	The Journal of organic chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	128.083729621
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9