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Basic information

  • Name:
  • L-tert-Leucine

  • CAS No.:
  • 20859-02-3

  • Molecular Structure:
  • Formula:
  • C6H13NO2
  • Molecular Weight:
  • 131.17
  • Synonyms:
  • H-Tle-OH;L-tert-Leu-OH;L-tert·Leucine;L-Valine, 3-methyl-;L-tert Leucine;L-tert-Leucine(L-2-Amino-3,3-dimethylbutanoic acid);(s)-2-amino-3,3-dimethylbutanoic acid;
  • EINECS:
  • 200-522-0
  • Density:
  • 1.038 g/cm3
  • Melting Point:
  • 300 °C
  • Boiling Point:
  • 217.7 °C at 760 mmHg
  • Flash Point:
  • 85.5 °C
  • Solubility:
  • 125.5 g/L (20 °C) in water
  • Appearance:
  • white to almost white powder
  • Hazard Symbols:
  • IrritantXi
  • Safety Description:
  • 22-24/25 Details

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Chemistry

Molecule structure of L-tert-Leucine (CAS NO.20859-02-3):

IUPAC Name: 2-Amino-3,3-dimethylbutanoic acid 
Molecular Weight: 131.17292 g/mol
Molecular Formula: C6H13NO2
Density: 1.038 g/cm3 
Melting Point: 300 °C
Boiling Point: 217.7 °C at 760 mmHg 
Flash Point: 85.5 °C
Index of Refraction: 1.464
Molar Refractivity: 34.87 cm3
Molar Volume: 126.3 cm3
Surface Tension: 38.2 dyne/cm 
Enthalpy of Vaporization: 50.03 kJ/mol
Vapour Pressure: 0.0499 mmHg at 25 °C 
Storage Temp.: store at RT.
Water Solubility: 125.5 g/L (20 °C)
XLogP3: -1.8
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 131.094629
MonoIsotopic Mass: 131.094629
Topological Polar Surface Area: 63.3
Heavy Atom Count: 9
Canonical SMILES: CC(C)(C)C(C(=O)O)N
InChI: InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)
InChIKey: NPDBDJFLKKQMCM-UHFFFAOYSA-N
EINECS: 200-522-0
Product Categories: Amino acids, non natural; Chiral Compounds; API intermediates; PROTECTED AMINO ACID & PEPTIDES; Amino Acids; Leucine [Leu, L]; API; Peptide

Uses

 L-tert-Leucine (CAS NO.20859-02-3) is used as nutrient supplement and animal feed additives. It is also used for drug synthetic.

Safety Profile

Hazard Codes: IrritantXi
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: OH2850000
Hazard Note: Irritant 

Specification

 L-tert-Leucine (CAS NO.20859-02-3) is also named as (2S)-2-Amino-3,3-Dimethylbutanoic Acid ; (S)-2-Amino-3,3-dimethylbutanoic acid ; (S)-2-Amino-4-methylpentanoic acid ; 3-Methyl-L-valin ; 3-Methyl-L-valine . L-tert-Leucine (CAS NO.20859-02-3) is white to almost white powder.

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