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Calcium citrate - 98%, high purity , CAS No.7693-13-2
Basic Description
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
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
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
Description
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.
Names and Identifiers
IUPAC Name
calcium;3-carboxy-3-hydroxypentanedioate
INCHI
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
InChIKey
PFKGDYCESFRMAP-UHFFFAOYSA-L
Smiles
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Ca+2]
Isomeric SMILES
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Ca+2]
Alternate CAS
813-94-5
Molecular Weight
498.43
Reaxy-Rn
14429482
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14429482&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
230.190 g/mol
XLogP3
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
Citations of This Product
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).
2.
Tong Luo, Shaolong Liu, Cong Luo, Xiaolei Qi, Bowen Lu, Liqi Zhang.
(2021)
Effect of different organic compounds on the preparation of CaO-based CO2 sorbents derived from wet mixing combustion synthesis. CHINESE JOURNAL OF CHEMICAL ENGINEERING,
36
(157).
3.
Yanqun Zhang, Pengran Guo, Manyu Jin, Ge Gao, Qiaoyue Xi, Hua Zhou, Guobao Xu, Jingwei Xu.
(2020)
Promoting the Photo-Fenton catalytic activity with carbon dots: Broadening light absorption, higher applicable pH and better reuse performance. Molecular Catalysis,
481
(110254).
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,
32
(37):
(9418–9427).
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,
(110006).
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5 Citations
G2222277