Isoleucine | CAS No. 443-79-8

Isoleucine

Basic Information

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CAS Number

443-79-8

Molecular Formula

C6H13NO2

Molecular Weight

131.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

290 °C (dec.)

Boiling Point

225.8℃ at 760 mmHg

Water Solubility

22.3 g/L (25 ºC)

Flash Point

90.3 °C

Refractive Index

1.4630 (estimate)

Specific Rotation

0° (c=4, 6N HCl)

SMILES

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CCC(C(C(=O)O)N)C

InChI

InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)

InChIKey

AGPKZVBTJJNPAG-UHFFFAOYSA-N

LogP

0.44439999999999996

Topological Polar Surface Area

63.31999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

103

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

DL-Isoleucine
(DL)-2-Amino-3-methylpentanoic acid
(+/-)-2-Amino-3-methylpentanoic acid~H-DL-Ile-OH
DL-Isoleucine (mixture of 4 stereoisomers)
2-amino-3-methylpentanoic acid
H-DL-Ile-OH
L-Isoleucine
DL-allo-isoleucine
Indan
Isoleucine, DL-
H-DL-Ile-OH (mixture of 4 stereoisomers)
DL-2-Amino-3-methylpentanoic acid

MDL Number

MFCD00004268

Customs Code

29224995

FAQ

What are the physical and chemical properties of Isoleucine (CAS: 443-79-8)?

Isoleucine (CAS: 443-79-8) is a colorless crystalline solid with a molecular weight of approximately 131.17 g/mol. It is slightly soluble in water and has a pKa of 1.88. Isoleucine is a nonpolar amino acid, and it is moderately reactive with strong acids and bases. It forms a stable crystalline form upon cooling from the melt.

How is Isoleucine (CAS: 443-79-8) typically synthesized?

Isoleucine (CAS: 443-79-8) is synthesized through a multi-step process involving the oxidation of valeraldehyde, followed by the reduction of the corresponding oxime. The key steps involve using catalytic amounts of platinum or palladium and employing a reducing agent such as sodium borohydride. This method offers good yields and high selectivity.

What industries use Isoleucine (CAS: 443-79-8)?

Isoleucine (CAS: 443-79-8) is widely used in the pharmaceutical industry for the synthesis of drugs and as a component in nutritional supplements. It is also utilized in the polymer industry for producing biodegradable polymers. Additionally, isoleucine plays a role in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Isoleucine (CAS: 443-79-8)?

When handling Isoleucine (CAS: 443-79-8), it is important to use appropriate personal protective equipment (PPE), including gloves and safety goggles. Store it in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use appropriate spill kits and ensure proper disposal of waste. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety instructions.