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| CAS No.: | 3641-51-8 |
|---|---|
| Name: | (R)-(+)-Methylsuccinic acid |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H8O4 |
| Molecular Weight: | 132.116 |
| Synonyms: | Butanedioic acid, methyl-, (R)-;Succinic acid,methyl-, (R)-(+)- (8CI);(+)-(2R)-Methylbutanedioic acid;(+)-Methylsuccinic acid;(+)-a-Methylsuccinic acid;(R)-2-Methylsuccinicacid;(R)-Methylsuccinic acid; |
| Density: | 1.312 g/cm3 |
| Melting Point: | 110-115 °C(lit.) |
| Boiling Point: | 236.526 °C at 760 mmHg |
| Flash Point: | 111.118 °C |
| Appearance: | White crystal |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 74.60000 |
| LogP: | 0.18180 |
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Chemistry
Molecular Structure of (R)-(+)-Methylsuccinic acid (3641-51-8):
IUPAC Name: (2R)-2-Methylbutanedioic acid
Molecular Formula: C5H8O4
Molecular Weight: 132.114620 g/mol
XLogP3-AA: -0.2
H-Bond Donor: 2
H-Bond Acceptor: 4
Canonical SMILES: CC(CC(=O)O)C(=O)O
Isomeric SMILES: C[C@H](CC(=O)O)C(=O)O
InChI: InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m1/s1
InChIKey: WXUAQHNMJWJLTG-GSVOUGTGSA-N
Freely Rotating Bonds: 3
Index of Refraction: 1.474
Molar Refractivity: 28.3 cm3
Molar Volume: 100.6 cm3
Surface Tension: 53.2 dyne/cm
Density: 1.311 g/cm3
Flash Point: 111.1 °C
Melting Point: 110-115 °C(lit.)
Boiling Point: 236.5 °C at 760 mmHg
Enthalpy of Vaporization: 52.13 kJ/mol
Vapour Pressure: 0.0162 mmHg at 25 °C
Water Solubility: 4.342e+005 mg/L at 25 °C
Refractive Index: 15.5 ° (C=2, EtOH )
Alpha: 8 ° (c=5, H2O )
Safety Profile
Safety Information of (R)-(+)-Methylsuccinic acid (3641-51-8):
Hazard Codes: Xi .gif){kind=small}
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
Specification
(R)-(+)-Methylsuccinic acid (3641-51-8) is also known as (R)-2-Methylsuccinic acid ; (R)-(+)-Pyrotartaric acid ; (R)-(+)-Methylsuccinic acid 98% ; (R)-2-Methylbutanedioic acid .