Basic information
- CAS
1756-18-9- Standard SMILES
CC(C)(O)C(O)C(=O)O- InChIKey
JTEYKUFKXGDTEU-UHFFFAOYSA-N- Molecular formula
- C5H10O4
- Average molar mass
- 134.13 g/mol
- Monoisotopic mass
- 134.0579088
Overview
2,3-dihydroxy-3-methylbutanoic acid is a dihydroxy monocarboxylic acid that is isovaleric acid which is substituted by hydroxy groups at positions 2 and 3. It is functionally related to an isovaleric acid and a butyric acid. It is a conjugate acid of a 2,3-dihydroxy-3-methylbutanoate.
Names & identifiers
- Preferred name
- 2,3-Dihydroxy-3-methylbutanoic acid
- IUPAC
- 2,3-dihydroxy-3-methylbutanoic acid
- English name
- alpha,beta-dihydroxyisovaleric acid
- Molecular formula
- C5H10O4
- Molecular weight
- 134.13
Names & synonyms
2,3-dihydroxy-3-methylbutanoic acid1756-18-9alpha,beta-Dihydroxyisovaleric acidCHEBI:15689DTXSID201292206RefChem:908641DTXCID80987784821-245-72,3-Dihydroxyisovaleric acidButanoic acid, 2,3-dihydroxy-3-methyl-2,3-Dihydroxy-isovaleric acidNSC 181496
Show more names
Isoleucine Impurity 402,3-dihidroxy-3-methyl-butanoate2,3-dihydroxy-3-methylbutanoic acid, 10 mM in DMSO2,3dihydroxy3methylbutanoic acid,2,3 dihydroxy 3 methylbutanoic acid
2,3-Dihydroxy-3-methylbutyric acid2,3-dihydroxy-3-methyl-butanoic acidDihydroxy-Valerate3-methyl-2,3-dihydroxybutyric acidSCHEMBL42068alpha,beta-dihydroxyisovalerateorb1302229JTEYKUFKXGDTEU-UHFFFAOYSA-N
Database identifiers
- CAS
1756-18-9- PubChem CID
- 677
- DTXSID
DTXSID201292206- ChEBI
CHEBI:15689
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 94 °C · 94 °C
- Boiling point
- 332.2 · 332.2±27.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly)
- pka
- 3 · 3+-.0.27(Predicted)
- form
- Solid
- color
- Off-White to Pale Beige
- Stability
- Moisture Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses2,3-Dihydroxyisovaleric acid (2,3-Dihydroxy-3-methylbutanoic acid) is a natural metabolite of the branched-chain amino acid leucine that has been found present in the urine of a patient with 2-hydroxyglutaric aciduria[1].
Suppliers14 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海克雷伯生物工程有限公司13585928691 · [email protected]
上海陶术生物科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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