| Identification | Back Directory | [Name]
2-HYDROXY-2-ISOPROPYLSUCCINIC ACID | [CAS]
3237-44-3 | [Synonyms]
alpha-isopropylmalate
2-ISOPROPYLMALIC ACID
2-IsopropylMalic acid 98%
2-HYDROXY-2-ISOPROPYLSUCCINIC ACID
2-Hydroxy-2-isopropylbutanedioic acid
2-Hydroxy-2-(1-methylethyl)butanedioic acid
(2S)-2-hydroxy-2-propan-2-ylbutanedioic acid
Butanedioic acid, 2-hydroxy-2-(1-methylethyl)- | [Molecular Formula]
C7H12O5 | [MDL Number]
MFCD00075003 | [MOL File]
3237-44-3.mol | [Molecular Weight]
176.17 |
| Chemical Properties | Back Directory | [Melting point ]
144-146 °C(lit.)
| [Boiling point ]
306.4±27.0 °C(Predicted) | [density ]
1.342±0.06 g/cm3(Predicted) | [storage temp. ]
4°C, away from moisture | [solubility ]
H2O : ≥ 250 mg/mL (1419.08 mM) | [form ]
Solid | [pka]
3.57±0.28(Predicted) | [color ]
White to off-white | [InChI]
1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11) | [InChIKey]
BITYXLXUCSKTJS-UHFFFAOYSA-N | [SMILES]
CC(C)C(O)(CC(O)=O)C(O)=O |
| Hazard Information | Back Directory | [Uses]
2-Isopropylmalic acid was employed as an internal standard in diagnostic model for pancreatic cancer using GC/MS-based human serum metabolomics. | [Definition]
ChEBI: A dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by an isopropyl group. |
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