3-Pentenoic acid,methyl ester, (3E)- (20515-19-9)

The Methyl (E)-3-pentenoate, with CAS registry number 20515-19-9, belongs to the following product categories: (1)C6 to C7; (2)Carbonyl Compounds; (3)Esters. It has the systematic name of methyl (3E)-pent-3-enoate. And its IUPAC name is methyl (E)-pent-3-enoate. This chemical should be stored in cool, dry place.

Physical properties of Methyl (E)-3-pentenoate: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.53; (6)ACD/BCF (pH 7.4): 8.53; (7)ACD/KOC (pH 5.5): 161.48; (8)ACD/KOC (pH 7.4): 161.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 31.67 cm³; (15)Molar Volume: 124.6 cm³; (16)Polarizability: 12.55×10^-24cm³; (17)Surface Tension: 26.4 dyne/cm; (18)Enthalpy of Vaporization: 35.89 kJ/mol; (19)Vapour Pressure: 15 mmHg at 25°C.

Uses of Methyl (E)-3-pentenoate: it can be used to produce methyl 2-isopropyl-3-pentenoate. This reaction will need reagent NaNH₂, NH₄Cl. The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
The Methyl (E)-3-pentenoate is harmful if swallowed. And this chemical is flammable, so keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C/C=C/C
(2)InChI: InChI=1/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3+
(3)InChIKey: KJALUUCEMMPKAC-ONEGZZNKBZ
(4)Std. InChI: InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3-4H,5H2,1-2H3/b4-3+
(5)Std. InChIKey: KJALUUCEMMPKAC-ONEGZZNKSA-N