Methyl 3-butenoate supplier

Name
METHYL 3-BUTENOATE
EINECS 223-076-9
CAS No. 3724-55-8
Article Data62
CAS DataBase
Density 0.939 g/cm³
Solubility
Melting Point -78.42°C (estimate)
Formula C₅H₈O₂
Boiling Point 90 °C at 760 mmHg
Molecular Weight 100.117
Flash Point 16.3 °C
Transport Information UN 3272
Appearance
Safety 16
Risk Codes 11
Molecular Structure
Hazard Symbols F
Synonyms Methyl3-butenoate;NSC 250983;
PSA 26.30000
LogP 0.73550

Methyl 3-butenoate Specification

The Methyl 3-butenoate, with cas registry number 3724-55-8, has the systematic name of methyl but-3-enoate. And its IUPAC name is the same one. Besides this, it is also called 3-butenoic acid, methyl ester.What's more, this chemical is highly flammable, so keep it away from sources of ignition.

Physical properties about this chemical are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.42; (6)ACD/BCF (pH 7.4): 3.42; (7)ACD/KOC (pH 5.5): 83.86; (8)ACD/KOC (pH 7.4): 83.86; (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: 1.402; (14)Molar Refractivity: 26.71 cm³; (15)Molar Volume: 109.6 cm³; (16)Polarizability: 10.59×10^-24cm³; (17)Surface Tension: 24.8 dyne/cm; (18)Enthalpy of Vaporization: 33 kJ/mol; (19)Vapour Pressure: 57.3 mmHg at 25°C.

Preparation: this chemical can be prepared by but-3-enoic acid and methanol. This reaction will need reagent HCL.

Uses of Methyl 3-butenoate: it can be used to produce 1-methoxy-1-trimethylsiloxy-1,3-butadiene. This reaction will need reagent LDA and solvent tetrahydrofuran. This temperature of reaction is -78 - 20 ℃. The yield is about 36%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C\C=C
(2)InChI: InChI=1/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3
(3)InChIKey: GITITJADGZYSRL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3
(5)Std. InChIKey: GITITJADGZYSRL-UHFFFAOYSA-N

Product Name

METHYL 3-BUTENOATE

Methyl 3-butenoate Specification

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