Calcium citrate - ≥98% , CAS No.7693-13-2

CAS: 7693-13-2 Cat. No.: C194985 Peso molecular: 498.43 Número EC: 231-703-2

GRADE & PURITY ≥98%

Synonyms

Citric acid, calcium salt|7693-13-2|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt|calcium monocitrate|QCD9FA9PLW|CCRIS 3670|HSDB 243|EINECS 231-703-2|calcium 3-carboxy-3-hydroxypentanedioate|calcium;3-carboxy-3-hydroxypentanedioate|calcium mon

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Citric acid, calcium salt | 7693-13-2 | 1, 2, 3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt | calcium monocitrate | QCD9FA9PLW | CCRIS 3670 | HSDB 243 | EINECS 231-703-2 | calcium 3-carboxy-3-hydroxypentanedioate | calcium;3-carboxy-3-hydroxypentanedioate | calcium mon

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Ca+2]
• IUPAC Name: calcium;3-carboxy-3-hydroxypentanedioate
• InChIKey: PFKGDYCESFRMAP-UHFFFAOYSA-L
• INCHI: 1S/C6H8O7.Ca/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);/q;+2/p-2
• Isómeros SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Ca+2]
• CAS alternativo: 813-94-5
• Peso molecular: 498.43
• Reaxy-Rn: 14429482
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14429482&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 acid salts Organic calcium salts 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 salt - Organic calcium salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: 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: Not available

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

Propiedades químicas y físicas

• Peso molecular: 230.190 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 229.974 Da
• Monoisotopic Mass: 229.974 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 216.000
• 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

Referencias

1. Bingxu Liu, Lihua Wang, Xiao Gong, Haiguang Zhao, Yuanming Zhang.  (2022)  Large scale synthesis of carbon dots for efficient luminescent solar concentrators.  Journal of Materials Chemistry C,  10  (48): (18154-18163).  [PMID:] [10.1039/D2TC04285A]

2. Tong Luo, Shaolong Liu, Cong Luo, Xiaolei Qi, Bowen Lu, Liqi Zhang.  (2020)  Effect of different organic compounds on the preparation of CaO-based CO2 sorbents derived from wet mixing combustion synthesis.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2020.09.039]

3. Yanqun Zhang, Pengran Guo, Manyu Jin, Ge Gao, Qiaoyue Xi, Hua Zhou, Guobao Xu, Jingwei Xu.  (2018)  Promoting the Photo-Fenton catalytic activity with carbon dots: Broadening light absorption, higher applicable pH and better reuse performance.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2018.12.003]

4. Yujie Ma, Xiaolin Li, Zhi Yang, Shusheng Xu, Wei Zhang, Yanjie Su, Nantao Hu, Weijie Lu, Jie Feng, Yafei Zhang.  (2016)  Morphology Control and Photocatalysis Enhancement by in Situ Hybridization of Cuprous Oxide with Nitrogen-Doped Carbon Quantum Dots.  LANGMUIR,      [PMID:27571475] [10.1021/acs.langmuir.6b02011]

5. Ruican Wang, Richard W. Hartel, Xinyu Zhai, Wenhui Fu, Yi Sun, Shuo Wang.  (2024)  Phase separation and gelation of gelatin-glucose syrup mixtures and gummy confections: Effects of moisture content, sugars, citric acid, and citrates.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2024.110006]

6. Song Rui, Wu Yushuang, Chen Shuo, Wang Guanyu, Han Lei, Li Jie.  (2026)  Oral calcium supplements to reduce the bioaccessibility and bioavailability of arsenic and lead in contaminated soil.  Scientific Reports,  16  (1): (10888).  [PMID:] [10.1038/s41598-026-44078-3]