ChemicalBook--->CAS DataBase List--->498-36-2

498-36-2

498-36-2 Structure

498-36-2 Structure
IdentificationBack Directory
[Name]

DL-LEUCIC ACID
[CAS]

498-36-2
[Synonyms]

Leucinic acid
DL-LEUCIC ACID
DL-LeucicAcid>
Einecs 207-860-8
Einecs 233-677-8
2-HYDROXYISOCAPROIC ACID
alpha-Hydroxyisocaproate
alpha-hydroxyisocaproicacid
2-Hydroxyisocaproic acid 99%
DL-Leucic Acid
2-HYDROXY-4-METHYLVALERIC ACID
DL-ALPHA-HYDROXYISOCAPROIC ACID
2-hydroxy-4-methyl-pentanoicaci
2-hydroxy-4-methylpentanoic acid
DL-2-HYDROXY-4-METHYLVALERIC ACID
Pentanoic acid, 2-hydroxy-4-methyl-
DL-2-HYDROXYISOCAPROIC ACID (ALPHA)
54641-21-3 (Mono-hydrochloride salt)
2-Hydroxy-4-methylvaleric acid, DL-leucic acid
[EINECS(EC#)]

207-860-8
[Molecular Formula]

C6H12O3
[MDL Number]

MFCD00004246
[MOL File]

498-36-2.mol
[Molecular Weight]

132.16
Chemical PropertiesBack Directory
[Melting point ]

78-80 °C(lit.)
[Boiling point ]

251.3±13.0 °C(Predicted)
[density ]

1.097±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMF: 12 mg/ml; DMSO: 11 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 5 mg/ml
[form ]

powder to crystal
[pka]

3.86±0.21(Predicted)
[color ]

White to Almost white
[Water Solubility ]

Soluble in water. (82 g/L) at 25°C.
[InChI]

1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
[InChIKey]

LVRFTAZAXQPQHI-UHFFFAOYSA-N
[SMILES]

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

0.522 (est)
[CAS DataBase Reference]

498-36-2
[EPA Substance Registry System]

2-Hydroxy-4-methylvaleric acid (498-36-2)
Hazard InformationBack Directory
[Definition]

ChEBI: A valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome.
[Uses]

2-Hydroxy-4-methylvaleric acid is used as nutrients, stabilizers, surfactants and emulsifiers.
[storage]

Store at -20°C
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

36/37/38-21
[Safety Statements ]

36/37/39-26
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

2918199890
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

DL-LEUCIC ACID(498-36-2)1HNMR
DL-LEUCIC ACID(498-36-2)IR
DL-LEUCIC ACID(498-36-2)Raman
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