Basic information
- Name:
L-Valine
- CAS No.:
72-18-4
- Molecular Structure:
- Formula:
- C5H11NO2
- Molecular Weight:
- 117.15
- Deleted CAS:
- 7004-03-7|16872-32-5
- Synonyms:
- Valine,L- (8CI);(+)-2-Amino-3-methylbutyric acid;(2S)-2-Amino-3-methylbutanoic acid;(S)-2-Amino-3-methylbutanoic acid;(S)-Valine;(S)-a-Amino-b-methylbutyric acid;2-Amino-3-methylbutanoic acid;Butanoic acid,2-amino-3-methyl-, (S)-;L-(+)-a-Aminoisovaleric acid;L-a-Amino-b-methylbutyricacid;NSC 76038;Valine;H-Val-OH;
- EINECS:
- 200-773-6
- Density:
- 1.064 g/cm3
- Melting Point:
- 295-300 °C (subl.)(lit.)
- Boiling Point:
- 213.642 °C at 760 mmHg
- Flash Point:
- 83.008 °C
- Solubility:
- 85 g/L (20 °C) in water
- Appearance:
- White crystalline powder
- Hazard Symbols:
Xn- Risk Codes:
- 40
- Safety Description:
- 24/25-36-22 Details
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Chemistry
Structure of L-Valine (CAS NO.72-18-4):
IUPAC Name: (2S)-2-amino-3-methylbutanoic acid
Empirical Formula: C5H11NO2
Molecular Weight: 117.1463
EINECS: 200-773-6
Index of Refraction: 1.461
Molar Refractivity: 30.23 cm3
Molar Volume: 110.1 cm3
Polarizability: 11.98×10-24cm3
Surface Tension: 39.8 dyne/cm
Density: 1.063 g/cm3
Flash Point: 83 °C
Enthalpy of Vaporization: 49.58 kJ/mol
Melting Point: 295-300 °C (subl.)(lit.)
Boiling Point: 213.6 °C at 760 mmHg
Vapour Pressure: 0.0633 mmHg at 25°C
Water Solubility: 85 g/L (20 ºC)
Physical Appearance: White crystalline powder
Product Categories: Amino Acids;Amino Acid Derivatives;Valine [Val, V];Amino Acids and Derivatives;alpha-Amino Acids;Biochemistry;Nutritional Supplements;Amino Acids
Canonical SMILES: CC(C)C(C(=O)O)N
Isomeric SMILES: CC(C)[C@@H](C(=O)O)N
InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKey: KZSNJWFQEVHDMF-BYPYZUCNSA-N
Uses
L-Valine (CAS NO.72-18-4) is the essential amino acids.
Production
1. Biosynthesis:
Valine is an essential amino acid, hence it must be ingested, usually as a component of proteins. It is synthesized in plants via several steps starting from pyruvic acid. The initial part of the pathway also leads to leucine. The intermediate α-ketovalerate undergoes reductive amination with glutamate. Enzymes involved in this biosynthesis include:
Acetolactate synthase (also known as acetohydroxy acid synthase)
Acetohydroxy acid isomeroreductase
Dihydroxyacid dehydratase
Valine aminotransferase
2. Synthesis
Racemic valine can be synthesized by bromination of isovaleric acid followed by amination of the α-bromo derivative
HO2CCH2CH(CH3)2 + Br2 → HO2CCHBrCH(CH3)2 + HBr
HO2CCHBrCH(CH3)2 + 2 NH3 → HO2CCH(NH2)CH(CH3)2 + NH4Br
Toxicity Data With Reference
| 1. | oms-omi 10 mmol/L | CBINA8 Chemico-Biological Interactions. 16 (1977),201. | ||
| 2. | ipr-rat LD50:5390 mg/kg ABBIA4 58,253,55 |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 40
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 24/25-36-22
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
S22:Do not breathe dust.
WGK Germany: 3
RTECS: YV9361000
HS Code: 29224995
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Specification
L-Valine, its cas register number is 72-18-4. It also can be called (S)-2-Amino-3-methylbutanoic acid ; (S)-2-Amino-3-methylbutyric acid ; (S)-Valine ; (S)-alpha-Amino-beta-methylbutyric acid ; 2-Amino-3-methylbutanoic acid ; 2-Amino-3-methylbutanoic acid, (S)- ; Butanoic acid, 2-amino-3-methyl- ; Butanoic acid, 2-amino-3-methyl-, (S)- ; L(+)-alpha-Aminoisovaleric acid ; L-alpha-Amino-beta-methylbutyric acid ; Valina ; Valine ; Valinum .