Methyl 3-pentenoate - CAS 818-58-6

Catalog:	BB036712
Product Name:	Methyl 3-pentenoate
CAS:	818-58-6
Synonyms:	methyl (E)-pent-3-enoate

Technical Data

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Computed Properties

IUPAC Name:	methyl (E)-pent-3-enoate
Description:	Methyl 3-pentenoate (CAS# 818-58-6 ) is a useful research chemical.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	CC=CCC(=O)OC
InChI:	InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3+
InChI Key:	KJALUUCEMMPKAC-ONEGZZNKSA-N
Boiling Point:	55-56 °C / 20 mmHg (lit.)
Density:	0.931 g/mL at 20 °C(lit.)
LogP:	1.12560

Publication Number	Title	Priority Date
CN-111205184-A	Method for synthesizing (9Z,12E) -tetradeca-9, 12-diene-1-alcohol acetate	20191212
US-11078139-B1	Cyclopentadiene fuels	20190904
WO-2020138126-A1	Crosslinkable resin composition and cured product using same	20181228
RU-2711579-C1	Rhodium-containing heterogeneous catalysts for processes of producing propanal and diethyl ketone by hydroformylation of ethylene	20181116
DE-102018114441-A1	Process for the preparation of terminally unsaturated alkene carboxylic acid ester from lactones	20180615

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	94.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	114.068079557
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	114.068079557
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1