-
Name
MONO-METHYL SUCCINATE
- EINECS 223-408-2
- CAS No. 3878-55-5
- Article Data97
- CAS DataBase
- Density 1.21 g/cm3
- Solubility Slightly soluble in water.
- Melting Point 54-57 °C(lit.)
- Formula C5H8O4
- Boiling Point 259.233 °C at 760 mmHg
- Molecular Weight 132.116
- Flash Point 104.549 °C
- Transport Information
- Appearance white crystalline powder
- Safety 22-24/25
- Risk Codes 36/37/38
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms Butanedioic acid, monomethyl ester(9CI);Succinic acid, methyl ester (6CI,7CI);Succinic acid, monomethyl ester(8CI);3-(Methoxycarbonyl)propanoic acid;3-(Methoxycarbonyl)propionic acid;3-Carbomethoxypropanoic acid;4-Methoxy-4-oxobutanoic acid;Methyl hydrogensuccinate;Monomethyl succinate;NSC 511;
- PSA 63.60000
- LogP 0.02420
mono-Methyl succinate Specification
This chemical is called Butanedioic acid, 1-methyl ester, and it can also be named as Monomethyl succinate. With the molecular formula of C5H8O4, its molecular weight is 132.11. The CAS registry number of this chemical is 3878-55-5.
Other characteristics of the Butanedioic acid, 1-methyl ester can be summarised as followings: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.32; (4)ACD/LogD (pH 7.4): -3.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.42; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 28.55 cm3; (15)Molar Volume: 109.1 cm3; (16)Polarizability: 11.31×10-24cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 104.5 °C; (20)Enthalpy of Vaporization: 54.7 kJ/mol; (21)Boiling Point: 259.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00394 mmHg at 25°C.
Production method of this chemical: The Butanedioic acid, 1-methyl ester could be obtained by the reactants of methanol and succinic acid anhydride. This reaction needs the reagent of benzene. The other condition is heating.
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Uses of this chemical: The Butanedioic acid, 1-methyl ester could react with 1,2,3-trimethoxy-benzene, and obtain the 4-oxo-4-(2,3,4-trimethoxy-phenyl)-butyric acid methyl ester. This reaction needs the reagent of PPA. The yield is 70%.
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You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
2.Smiles: O=C(OC)CCC(=O)O
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