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Name |
Methyl 3-butenoate |
EINECS | 223-076-9 |
CAS No. | 3724-55-8 | Density | 0.939 g/cm3 |
PSA | 26.30000 | LogP | 0.73550 |
Solubility | N/A | 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 | N/A |
Safety | 16 | Risk Codes | 11 |
Molecular Structure | Hazard Symbols | F | |
Synonyms |
Methyl3-butenoate;NSC 250983; |
Article Data | 62 |
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