(2S)-2-Hydroxy-4-methylpentanoic acid

Basic Information

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CAS Number

13748-90-8

Molecular Formula

C6H12O3

Molecular Weight

132.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

77.0 to 82.0 deg-C

Boiling Point

251.3±13.0 ºC (760 Torr),

Water Solubility

almost transparency

Flash Point

120.1±16.3 ºC,

Refractive Index

-26 ° (C=2, 1 %NaOH)

SMILES

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CC(C)C[C@H](O)C(=O)O

InChI

InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1

InChIKey

LVRFTAZAXQPQHI-YFKPBYRVSA-N

LogP

0.478

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

98.5

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

(S)-2-Hydroxy-4-methylpentanoic acid
2-HYDROXY-3-METHYLPENTANOIC ACID
2-HYDROXY-3-METHYLVALERIC ACID
LEUCIC ACID
L-LEUCIC ACID
(S)-2-HYDROXY-4-METHYLVALERIC ACID
(S)-(-)-2-HYDROXYISOCAPROIC ACID
(s)-pentanoicaci
L-2-hydroxy-4-methylvaleric acid
Pentanoic acid, 2-hydroxy-4-methyl-, (2S)-
(2S)-2-hydroxy-4-methylpentanoic acid
Hydroxyisocaproic acid
L-LEUCIC ACID ( AKA ) 2-HYDROXY ISOCAPROIC ACID
S-2-Hydroxy-4-methylpentanoic acid
(S)-Leucic acid
2-Hydroxy-4-methylvaleric acid, L-2-Hydroxy-4-methylpentanoic acid, L-Leucic acid
(2S)-2-Hydroxy-4-methylvaleric acid
(S)-4-Methyl-2-hydroxyvaleric acid
(S)-(？)-2-Hydroxyisocaproic acid
L-alpha-Hydroxyisocaproic acid
L-alpha-Hydroxyisocaproicacid1GR
L-alpha-Hydroxyisocaproicacid5GR
L-α-Hydroxyisocaproic acid
L-HICA
L-a-Hydroxyisocaproic acid
S-2-Hydroxy-4-methylvaleric acid
(S)-2-Hydroxy-4-methylvaleric Acid
L-Leucic Acid
L-ALPHA-HYDROXYISOCAPROIC ACID

MDL Number

MFCD00064214

Customs Code

2918199090

FAQ

What are the physical and chemical properties of (2S)-2-Hydroxy-4-methylpentanoic acid (CAS: 13748-90-8)?

(2S)-2-Hydroxy-4-methylpentanoic acid is a colorless crystalline solid with a molecular weight of approximately 146.18 g/mol. It has a pKa of 2.7 and is moderately soluble in water. The compound shows limited reactivity under normal conditions but can undergo esterification and amide formation. It is sparingly soluble in common organic solvents like ethanol and acetone.

How is (2S)-2-Hydroxy-4-methylpentanoic acid (CAS: 13748-90-8) typically synthesized?

(2S)-2-Hydroxy-4-methylpentanoic acid can be synthesized from 4-methylpentanoyl chloride and sodium hydroxide in an aqueous medium. The reaction proceeds with high selectivity to the (2S) configuration. The yield is typically around 75-85%, and the product can be isolated by recrystallization from water or methanol.

What industries use (2S)-2-Hydroxy-4-methylpentanoic acid (CAS: 13748-90-8)?

(2S)-2-Hydroxy-4-methylpentanoic acid finds applications in the pharmaceutical industry as a precursor for certain drug molecules. It is also used in the polymer industry for modifying properties of polymers. Additionally, it has potential uses in the food industry as a flavor enhancer and in the sensor industry for detecting organic compounds.

What precautions should be taken when handling (2S)-2-Hydroxy-4-methylpentanoic acid (CAS: 13748-90-8)?

When handling (2S)-2-Hydroxy-4-methylpentanoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves and goggles. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, use absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.