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4026-18-0

4026-18-0 Structure

4026-18-0 Structure
IdentificationMore
[Name]

2-HYDROXY-3-METHYLBUTYRIC ACID
[CAS]

4026-18-0
[Synonyms]

(+/-)-2-HYDROXY-3-METHYLBUTYRIC ACID
2-HYDROXY-3-METHYLBUTYRIC ACID
2-HYDROXYISOVALERIC ACID
A-HYDROXYISOVALERIC ACID
AKOS 239-06
(+/-)-ALPHA-HYDROXYISOVALERIC ACID
ALPHA-HYDROXYISOVALERIC ACID
(+/-)-2-HYDROXY-3-METHYLBUTYRIC ACID, 99 %
(2S)-2-hydroxy-3-methyl-butanoic acid
2-HYDROXY-3-METHYLBUTYRIC ACID 99%
2-Hydroxy-3-methylbutanoic acid
[EINECS(EC#)]

223-697-5
[Molecular Formula]

C5H10O3
[MDL Number]

MFCD00004242
[Molecular Weight]

118.13
[MOL File]

4026-18-0.mol
Chemical PropertiesBack Directory
[Melting point ]

86-87 °C (lit.)
[Boiling point ]

120-125 °C(Press: 17 Torr)
[density ]

1.136±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in dimethyl sulfoxide and methanol.
[form ]

Solid
[pka]

3.87±0.16(Predicted)
[color ]

White
[InChI]

InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
[InChIKey]

NGEWQZIDQIYUNV-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(O)C(C)C
[LogP]

0.013 (est)
[CAS DataBase Reference]

4026-18-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

3-10
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

2-Hydroxy-3-methylbutyric Acid is a α-hydroxylated butyric acid derivative used as a marker in chemical diagnosis of organic aciduria and other inborn errors. 2-Hydroxy-3-methylbutyric Acid is also us ed as a metabolomic biomarkers in preeclampsia.
[Uses]

2-Hydroxy-3-methylbutyric acid is employed as internal standard for analysis of ethylene glycol (EG) and γ-hydroxybutyrate (GHB) in whole blood.
[Definition]

ChEBI: A valine derivative that is valine in which the amino group has been replaced by a hydroxy group.
[General Description]

Chiral resolution of 2-hydroxy-3-methylbutyric acid without derivatization has been studied by capillary electrophoresis using 2-hydroxypropyl-β-cyclodextrin.
[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

2-HYDROXY-3-METHYLBUTYRIC ACID(4026-18-0)1HNMR
2-HYDROXY-3-METHYLBUTYRIC ACID(4026-18-0)Raman
2-HYDROXY-3-METHYLBUTYRIC ACID(4026-18-0)FT-IR
2-HYDROXY-3-METHYLBUTYRIC ACID(4026-18-0)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4026-18-0(sigmaaldrich)
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