Citric acid monohydrate - Ph.Eur., Suitable for Analysis, ACS, Premium pure , CAS No.5949-29-1

CAS: 5949-29-1 Cat. No.: C433032 Formula: C₆H₈O₇·H₂O Peso molecolare: 210.14 Beilstein Registry Number: 4018641 Numero EC: 611-842-9

GRADE & PURITY Ph.Eur., Suitable for Analysis, ACS, Premium pure

Synonyms

INS NO.330 | BS-17269 | citrate hydrate | Citric acid monohydrat | B1650 [LANGUAL] | Citric acid monohydrate, JIS special grade, >=99.5% | CITRIC ACID MONOHYDRATE (USP MONOGRAPH) | CITRATE [II] | CITRIC ACID MONOHYDRATE [WHO-IP] | DTXSID7074668 | CITRIC A

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

INS NO.330 | BS-17269 | citrate hydrate | Citric acid monohydrat | B1650 [LANGUAL] | Citric acid monohydrate, JIS special grade, >=99.5% | CITRIC ACID MONOHYDRATE (USP MONOGRAPH) | CITRATE [II] | CITRIC ACID MONOHYDRATE [WHO-IP] | DTXSID7074668 | CITRIC A

Specifiche e purezza

Ph.Eur., Suitable for Analysis, ACS, Premium pure

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Grado

ACS, Ph.Eur., Premium pure, Suitable for Analysis

Nomi e identificatori

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

Domande frequenti

What does Ph.Eur. mean?

Ph.Eur. indicates that the material complies with the published monographs of the relevant pharmacopoeia (Ph.Eur.). Specifications include identity, assay, impurity limits, residual solvents and other tests defined in the monograph. Ph.Eur.-compliant material is suitable for pharmacopoeia-compliant pharmaceutical use, including pharmaceutical manufacturing, QC and regulatory submission.

What does Suitable for Analysis mean?

Suitable for Analysis is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Suitable for Analysis is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5949-29-1, the molecular formula is C6H8O7·H2O, and the molecular weight is 210.14 g/mol. InChIKey YASYEJJMZJALEJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.