Related Searches: Calcium citrate, calcium citrate tetrahydrate, calcium citrate malate, calcium citrate usp, citrate, View all

Calcium citrate(CAS No. 813-94-5)

Calcium citrate C12H10Ca3O14 (cas 813-94-5) Molecular Structure

813-94-5 Structure

Identification and Related Records

【Name】
Calcium citrate
【CAS Registry number】
813-94-5
【Synonyms】
Calciumcitrate (Ca3(O7C6H5)2) (7CI)
Citric acid, calcium salt (2:3) (8CI)
Acicontral
Citracal
Citrical
Tribasic calcium citrate
Tricalcium citrate
Tricalcium dicitrate
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, calcium salt (2:3)
【EINECS(EC#)】
212-391-7
【Molecular Formula】
C12H10Ca3O14 (Products with the same molecular formula)
【Molecular Weight】
498.4334
【Inchi】
InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
【InChIKey】
FNAQSUUGMSOBHW-UHFFFAOYSA-H
【Canonical SMILES】
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2]
【MOL File】
813-94-5.mol

Chemical and Physical Properties

【Appearance】
white powder or white to colourless crystals
【Density】
1.63 g/cm3
【Melting Point】
120 °C (loses water)
【Boiling Point】
309.6 °C at 760 mmHg
【Flash Point】
155.2 °C
【Water】
0.1 M HCl: 0.01 M at 20 °C, clear, colorless
【Solubilities】
0.1 M HCl: 0.01 M at 20 °C, clear, colorless
【Stability】
Stable. Incompatible with strong oxidizing agents.
【Computed Properties】
Molecular Weight:498.4334 [g/mol]
Molecular Formula:C12H10Ca3O14
H-Bond Donor:2
H-Bond Acceptor:14
Rotatable Bond Count:4
Exact Mass:497.894829
MonoIsotopic Mass:497.894829
Topological Polar Surface Area:281
Heavy Atom Count:29
Formal Charge:0
Complexity:211
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:5

Safety and Handling

【Safety】

WGK Germany: 1

【Formulations/Preparations】
Grades: reagent; technical; FCC. /Tetrahydrate/
【Specification】

white powder or white to colourless crystals
【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

... from citrus fruit: Cole, US patent 2,389,766 (1945 to California Fruit Growers Exchange). Review: Rudy, Pharmazie 4: 393 (1949).
A BY-PRODUCT IN THE MFR OF CITRIC ACID. /TETRAHYDRATE/

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances which are of little or no nutritive value, but are used in the processing or storage of foods or animal feed, especially in the developed countries; includes ANTIOXIDANTS; FOOD PRESERVATIVES; FOOD COLORING AGENTS; FLAVORING AGENTS; ANTI-INFECTIVE AGENTS (both plain and LOCAL); VEHICLES; EXCIPIENTS and other similarly used substances. Many of the same substances are PHARMACEUTIC AIDS when added to pharmaceuticals rather than to foods.

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-188-74586545
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Shenzhen Simeiquan Biotechnology Co.Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-20-18102838259
Wuhan Dahua Weiye Pharmaceutical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-59212929
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
HUTONG GLOBAL CO.,LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-22-59853797
Shandong Chainwin Chemical Co.,Ltd.
Country:ChinaChina
Business Type:Trading Company
Telephone:86-531-84876888
TAI AN HEALTH CHEMICAL CO., LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-153-15296038

Quick Search

Cas    Name

Related products

CALCIUM CITRATE MALATE PENTAHYDRATE

CALCIUM CITRATE MALATE PENTAHYDRATE

Calcium Citrate Maleate

CalciumCitrateMaleate

Calcium Citrate Malate Fine Granular

2-Hydroxy-1,2,3-propanetricarboxylic acid calcium salt, mixt. with hydroxybutanedioic acid calcium salt;1,2,3-Propanetricarboxylic acid, 2-hydroxy-, c...

citrate

Mosapride Base;

triethyl citrate

Triethylcitrate; Citronensaeuretriethylester; Citric Acid Triethyl Ester; ; TEC

Mosapride citrate

Gasmotin;Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)methyl)-2-morpholinyl)methyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);Benza...

Sildenafil citrate

Piperazine,1-[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-4-methyl-(9CI);5-[2-Ethoxy-5-(4-methy...

Piperazine citrate

Oxyzin (syrup);Oxucide;Ascarex Syrup;Parazine;Vermizine (elixir);Helmezine;Pipizan;Piperazine, 2-hydroxy-1,2,3-propanetricarboxylate (3:2);Pinozan;Bry...

Toremifene citrate

2-[4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy]-N,N-dimethyl-ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid;Ethanamine,2-[4-[(1Z)-4-chloro-1,2-...

tripotassium citrate

tri-Potassium citrate; Potassium acid citrate; 1,2,3-Propanetricarboxylicacid,2-hydroxy-,tripotassiumsalt; kajos; kaliksir; porekal; potassiumcitratea...

Clomiphene Citrate

2-[4-[(Z)-2-chloro-1,2-diphenyl-ethenyl]phenoxy]-N,N-diethyl-ethanamine;(Z)-2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine Citrate (1:1);2-({4...

Tamoxifen citrate

Farmifeno;Oncomox;Tamoxifen citrate (JAN/USP);Tafoxen;Kessar;Tamoxasta;Tamoxifenum [INN-Latin];Nolvadex (TN);Soltamox;Noxitem;Oncotam;Ethanamine, 2-(4...