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Isoleucine

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Isoleucine

EINECS 200-798-2
CAS No. 73-32-5 Density 1.036 g/cm3
Solubility 41.2 g/L (50 °C) in water Melting Point 288 °C (dec.)(lit.)
Formula C6H13NO2 Boiling Point 225.772 °C at 760 mmHg
Molecular Weight 131.17 Flash Point 90.344 °C
Transport Information Appearance White crystalline powder
Safety 24/25-36-22 Risk Codes 40
Molecular Structure Molecular Structure of 73-32-5 (L-Isoleucine) Hazard Symbols HarmfulXn
Synonyms

(2S,3S)-Ile;L-Isoieucine;L-Isoleucine;Z-(s,S)-isoleucine;H-L-ILE-OH;H-lle-OH;L-Ile (2S,3S);N-methyl Ile;H-ILE-OH;L-Isoleusine;L(+)-Isoleucin;(2S,3S)-2-Amino-3-methylpentanoicacid;ILE;(S)-isoleucin;Isoleucin;查看更多英文别名

 

Isoleucine Consensus Reports

Reported in EPA TSCA Inventory.

Isoleucine Specification

Isoleucine is an α-amino acid with the chemical formula HO2CCH(NH2)CH(CH3)CH2CH3. With the CAS NO.73-32-5, it also called (2S,3S)-2-Amino-3-methylpentansαure; (2s,3s)-alpha-amino-beta-merthylvalericacid; (2s,3s)-alpha-amino-beta-methyl-n-valericacid; (s-(r*,r*))-2-amino-3-methylpentanoicaci; (s-(r*,r*))-2-amino-3-methylpentanoicacid; (S,S)-2-amino-3-methyl-pentanoicacid; (s,s)-isoleucine; [S-(R*,R*)]-2-Amino-3-methylpentanoic acid. And it is a white crystals or crystalline solid.  Isoleucine can be used in biochemical research, and in medicine used for nutritional supplements.

Physical properties about Isoleucine are: (1)ACD/LogP: 0.799; (2)ACD/LogD (pH 5.5): -1.70; (3)ACD/LogD (pH 7.4): -1.70; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 34.863 cm3; (13)Molar Volume: 126.632 cm3; (14)Polarizability: 13.821 10-24cm3; (15)Surface Tension: 39.0019989013672 dyne/cm; (16)Density: 1.036 g/cm3; (17)Flash Point: 90.344 °C; (18)Enthalpy of Vaporization: 50.93 kJ/mol; (19)Boiling Point: 225.772 °C at 760 mmHg; (20)Vapour Pressure: 0.0309999994933605 mmHg at 25°C

Preparation of Isoleucine:  Isoleucine(CAS NO.73-32-5) can be produced with sugar, ammonia, D-threonine as raw material.Serratia spp race (Serratia marcescens) fermentation derived. Or with sugar, ammonia, α-amino butyric acid as raw material.And it derived from yellow cocci (Micrococcus flavum), or Bacillus subtilis (Bacillus subtilis; Aerobactor) fermentation.

When you are using this chemical, please be cautious about it as the following:
1. Avoid contact with skin and eyes
2. Wear suitable protective clothing
3. Do not breathe dust

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1;
(2)InChIKey=AGPKZVBTJJNPAG-WHFBIAKZSA-N;
(3)SmilesC([C@H]([C@H](CC)C)N)(O)=O;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 6822mg/kg (6822mg/kg)   Archives of Biochemistry and Biophysics. Vol. 58, Pg. 253, 1955.
rat LD50 intraperitoneal 6822mg/kg (6822mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Archives of Biochemistry and Biophysics. Vol. 58, Pg. 253, 1955.

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