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98-79-3

Basic Information
CAS No.: 98-79-3
Name: L-Pyroglutamic acid
Molecular Structure:
Molecular Structure of 98-79-3 (L-Pyroglutamic acid)
Formula: C5H7NO3
Molecular Weight: 129.11
Synonyms: Proline, 5-oxo-;Pyrrolidonecarboxylic acid;2-Pyrrolidinone-5-carboxylic acid;Proline, 5-oxo-, L-;(S)-5-Oxo-2-pyrrolidinecarboxylic acid;2-Pyrrolidone-5-Carboxylicacid;H-PYR-OH;pGlu-OH;L-Pyr-OH;L-Pyro Glutamic Acid;L-pyroglutamate;2-Oxopyrrolidine-5-carboxylic acid;Acido pidolico [INN-Spanish];5-Pyrrolidone-2-carboxylic acid;2-Benzothiazolesulfenic acid morpholide;L-5-Oxo-2-pyrrolidinecarboxylic acid;Pidolic acid [INN];L-Glutamic acid gamma-lactam;(2R)-5-oxopyrrolidine-2-carboxylate;35255-51-7;Acidum pidolicum [INN-Latin];L-Proline, 5-oxo-;CPD-589;2-Benzothiazolesulfenemorpholide;5-Carboxy-2-pyrrolidinone;Acide pidolique [INN-French];L-5-Pyrrolidone-2-carboxylic acid;(-)-2-Pyrrolidone-5-carboxylic acid;L-5-Carboxy-2-pyrrolidinone;(S)-(-)-2-Pyrrolidone-5-carboxylic acid;5-oxo-L-proline;2-L-Pyrrolidone-5-carboxylic acid;
EINECS: 202-700-3
Density: 1.38 g/cm3
Melting Point: 160-163 °C(lit.)
Boiling Point: 453.1 °C at 760 mmHg
Flash Point: 227.8 °C
Solubility: 10-15 g/100 mL (20 °C) in water
Appearance: white to light yellow crystal powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
Transport Information:
PSA: 66.40000
LogP: -0.32160
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    Product Name: L-Pyroglutamic acid Synonyms: (5s)-2-oxopyrrolidine-5-carboxylicacid;(s)-5-oxo-2-pyrrolidinecarboxylicacid;(s)-pyroglutamicacid;2-benzothiazolesulfenicacidmorpholide;2-l-pyrrolidone-5-carboxylicacid;2-oxopyrrolidine-5-carboxylic

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  • (S)-(-)-2-Pyrrolidone-5-carboxylic acid

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    98-79-3

    (S)-(-)-2-Pyrrolidone-5-carboxylic acid

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Specification

The IUPAC name of L-Pyroglutamic acid is (2S)-5-oxopyrrolidine-2-carboxylic acid. With the CAS registry number 98-79-3, it is also named as 2-Benzothiazolesulfenemorpholide. The product's categories are Heterocycles; Pyrrolidine Series; Chiral; Pyroglutamic Acid [Pyr, pGu]; Unusual Amino Acids; Amino Acids; Biochemistry; Biological-modified Amino Acids; for Resolution of Bases; Optical Resolution; Synthetic Organic Chemistry; Amino Acids; Nutraceuticals, and the other registry numbers are 16891-48-8; 29222-42-2; 312618-42-1; 35255-51-7; 498-91-9; 6886-28-8; 87430-62-4. Besides, it is white to light yellow crystal powder, which should be stored in a cool, dry, well ventilated warehouse away from fire and heat source. And the packaging must be sealed and not damp. In addition, this chemical is stable, and incompatible with bases, acids, strong oxidizing agents.

Physical properties about  L-Pyroglutamic acid are: (1)ACD/LogP: -1.348; (2)ACD/LogD (pH 5.5): -3.38; (3)ACD/LogD (pH 7.4): -4.88; (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: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.512 ; (12)Molar Refractivity: 28.033 cm3; (13)Molar Volume: 93.496 cm3; (14)Polarizability: 11.113 10-24cm3; (15)Surface Tension: 54.6319999694824 dyne/cm; (16)Density: 1.381 g/cm3; (17)Flash Point: 227.848 °C; (18)Enthalpy of Vaporization: 78.09 kJ/mol; (19)Boiling Point: 453.134 °C at 760 mmHg

Preparation and Uses of L-Pyroglutamic acid: Please heat 42 % Glutamic acid solution for 3 hours at 140 °C. And you will obtain the reaction liquid that is the main component of L-Pyroglutamic acid. After decompression and concentration, crystallization, washing, drying, you will get the product. The yield is 94 %. Furthermore, this chemical is used as intermediate of organic synthesis, food additives. It is also used in biochemical study, medicine, cosmetics and other industries. Additionally, it is used as resolving agent.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1;
(2)InChIKey=ODHCTXKNWHHXJC-VKHMYHEASA-N;
(3)Smiles[C@@H]1(NC(=O)CC1)C(=O)O

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4882359,
rat LD50 subcutaneous > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4882359,