Citric acid monohydrate - ≥99.995% metals basis , CAS No.5949-29-1

CAS: 5949-29-1 Cat. No.: C112633 Formula: C₆H₈O₇·H₂O Peso molecolare: 210.14 Beilstein Registry Number: 4018641 Numero EC: 611-842-9

GRADE & PURITY ≥99.995% metals basis

Synonyms

2-Hydroxy-1,2,3-propanetricarboxylic acid monohydrate | Citric acid hydrate | 2-hydroxypropane-1,2,3-tricarboxylic acid hydrate

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

Citric Acid is an acidic compound from citrus fruits; as a starting point in the Krebs cycle, citrate is a key intermediate in metabolism. Citric acid is one of a series of compounds responsible for the physiological oxidation of fats, carbohydrates, and proteins to carbon dioxide and water. It has been used to prepare citrate buffer for antigen retrieval of tissue samples. The citrate solution is designed to break protein cross-links, thus unmasking antigens and epitopes in formalin-fixed and paraffin embedded tissue sections, and resulting in enhanced staining intensity of antibodies. Citrate has anticoagulant activity; as a calcium chelator, it forms complexes that disrupt the tendency of blood to clot. May be used to adjust pH and as a sequestering agent for the removal of trace metals.
A useful buffer component for antigen and epitope unmasking

Specifications

Sinonimi

2-Hydroxy-1,2,3-propanetricarboxylic acid monohydrate | Citric acid hydrate | 2-hydroxypropane-1,2,3-tricarboxylic acid hydrate

Specifiche e purezza

≥99.995% metals basis

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99.995% metals basis

Nomi e identificatori

Pubchem Sid

488182748

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182748

Sorrisi canonici

C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

IUPAC Name

2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate

InChIKey

YASYEJJMZJALEJ-UHFFFAOYSA-N

INCHI

1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2

Isomeri SMILES

C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

WGK Germania

1

RTECS

GE7810000

Peso molecolare

210.14

Beilstein

4018641

Reaxy-Rn

4018641

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4018641&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Alpha hydroxy acids and derivatives Tertiary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: organic molecular entity

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (59.2 g/100 ml) at 20 °C, ethanol, ether, and water (84.0 g/100 ml) at 100 °C. Soluble in water, ethanol and ether. Partially soluble in methanol, diethyl ether. Insoluble in n-octanol.
• Punto di infiammabilità (°F): 345.0 °F
• Punto di infiammabilità (°C): 173.9℃
• Punto di fusione (°C): 135-152°C
• Peso molecolare: 210.140 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 210.038 Da
• Monoisotopic Mass: 210.038 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3