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| CAS No.: | 4100-80-5 |
|---|---|
| Name: | METHYLSUCCINIC ANHYDRIDE |
| Molecular Structure: | |
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| Formula: | C5H6O3 |
| Molecular Weight: | 114.101 |
| Synonyms: | Pyrotartaricanhydride (6CI);Succinic anhydride, methyl- (7CI,8CI);2-Methylbutanedioicanhydride;2-Methylsuccinic anhydride;Methyldihydrofuran-2,5-dione;Methylsuccinic anhydride;NSC 65437;a-Methylsuccinic anhydride; |
| EINECS: | 223-870-5 |
| Density: | 1.23 g/cm3 |
| Melting Point: | 33-35 °C(lit.) |
| Boiling Point: | 239 °C at 760 mmHg |
| Flash Point: | 108.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 43.37000 |
| LogP: | 0.09600 |
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Specification
The 2,5-Furandione,dihydro-3-methyl- is an organic compound with the formula C5H6O3. The IUPAC name of this chemical is 3-methyloxolane-2,5-dione. With the CAS registry number 4100-80-5, it is also named as 2-Methylsuccinic anhydride. Besides, it should be stored in a closed cool and dry place.
Physical properties about 2,5-Furandione,dihydro-3-methyl- are: (1)ACD/LogP: -0.81; (2)ACD/LogD (pH 5.5): -0.81; (3)ACD/LogD (pH 7.4): -0.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.61; (7)ACD/KOC (pH 7.4): 8.61; (8)#H bond acceptors: 3; (9)Polar Surface Area: 43.37 Å2; (10)Index of Refraction: 1.452; (11)Molar Refractivity: 25.02 cm3; (12)Molar Volume: 92.7 cm3; (13)Polarizability: 9.91×10-24cm3; (14)Surface Tension: 37.3 dyne/cm; (15)Density: 1.23 g/cm3; (16)Flash Point: 108.2 °C; (17)Enthalpy of Vaporization: 47.59 kJ/mol; (18)Boiling Point: 239 °C at 760 mmHg; (19)Vapour Pressure: 0.0411 mmHg at 25°C.
Preparation: this chemical can be prepared by acetyl chloride and methylsuccinic acid. The reaction time is 2.5 hours by heating. The yield is about 88%.
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Uses of 2,5-Furandione,dihydro-3-methyl-: it can be used to produce 2-methyl-4-oxo-4-phenyl-butyric acid. It will need reagent aluminium chloride.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)C(C)C1
(2)InChI: InChI=1/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3
(3)InChIKey: DFATXMYLKPCSCX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3
(5)Std. InChIKey: DFATXMYLKPCSCX-UHFFFAOYSA-N