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methyl crotonate

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Name

methyl crotonate

EINECS 210-793-7
CAS No. 18707-60-3 Density 0.925 g/cm3
PSA 26.30000 LogP 0.73550
Solubility IMMISCIBLE Melting Point 122-124℃
Formula C5H8O2 Boiling Point 121 °C at 760 mmHg
Molecular Weight 100.117 Flash Point 4.4 °C
Transport Information UN 3272 Appearance N/A
Safety 16-26-36 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 18707-60-3 (methyl crotonate) Hazard Symbols FlammableF,IrritantXi
Synonyms

Crotonicacid, methyl ester (6CI,8CI);1-(Methoxycarbonyl)propene;Methyl 2-butenoate;Methyl crotonate;NSC 18745;NSC 44868;

Article Data 40

methyl crotonate Specification

This chemical is called methyl crotonate, and its systematic name is methyl but-2-enoate. With the molecular formula of C5H8O2, its molecular weight is 100.12. The CAS registry number of this chemical is 18707-60-3.

Other characteristics of the methyl crotonate can be summarised as followings: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.89; (6)ACD/BCF (pH 7.4): 5.89; (7)ACD/KOC (pH 5.5): 123.92; (8)ACD/KOC (pH 7.4): 123.92; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.414; (14)Molar Refractivity: 27.04 cm3; (15)Molar Volume: 108.1 cm3; (16)Polarizability: 10.72×10-24cm3; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 0.925 g/cm3; (19)Flash Point: 4.4 °C; (20)Enthalpy of Vaporization: 35.91 kJ/mol; (21)Boiling Point: 121 °C at 760 mmHg; (22)Vapour Pressure: 14.9 mmHg at 25°C.

Production method of this chemical: The methyl crotonate could be obtained by the reactants of 4-methyl-oxetan-2-one and methanol; potassium salt. This reaction needs the solvent of tetrahydrofuran. The yield is 87 %. In addition, this reaction should be taken for 15 minutes at the temperature of 20 °C.

Uses of this chemical: The methyl crotonate could react with dimethylamine, and obtain the 3-dimethylamino-butyric acid methyl ester. This reaction needs the solvent of methanol. The yield is 95 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. For it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC)C=CC
2.InChI: InChI=1/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3
3.InChIKey: MCVVUJPXSBQTRZ-UHFFFAOYAI

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