Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1)

Base Information

• Chemical Name: Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1)
• CAS No.: 3164-34-9
• Deprecated CAS: 10471-49-5
• Molecular Formula: C₄H₄O₆*Ca
• Molecular Weight: 188.15
• Hs Code.: 2918130000
• UNII: O6I5B26XA7
• DSSTox Substance ID: DTXSID50883961
• Nikkaji Number: J217.320D
• Wikidata: Q416767
• Mol file: 3164-34-9.mol

Synonyms:O6I5B26XA7;Calcium tartarate;calcium;(2R,3R)-2,3-dihydroxybutanedioate;UNII-O6I5B26XA7;calcium d-tartrate;Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1);EINECS 221-621-5;Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, calcium salt (1:1);Tartaric acid, calcium salt (1:1);EC 221-621-5;Butanedioic acid, 2,3-dihydroxy-, calcium salt;calcium l-(+)-tartrate;BUTANEDIOIC ACID, 2,3-DIHYDROXY- (R-(R*,R*))-, CALCIUM SALT (1:1);calcium l-tartrate;calcium L(+)-tartrate;calcium L(+ )-tartrate;Tartaric acid, calcium salt;L-Tartaric acid calcium salt;CALCIUM TARTRATE [MI];INS NO.354;SCHEMBL3842912;CALCIUM TARTRATE [INCI];(R)-(+)-BUPIVACAINEHCL;DTXSID50883961;INS-354;CALCIUM TARTRATE [WHO-DD];GUPPESBEIQALOS-ZVGUSBNCSA-L;CALCIUM L-(+)-TARTRATE (1:1);2,3-Dihydroxybutanedioic acid, calcium salt;E-354;Q416767

Chemical Property of Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1)

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: decomposes [CRC10]
• Boiling Point: 399.3oC at 760 mmHg
• Flash Point: 209.4oC
• PSA: 93.06000
• Density: 1.878[at 20℃]
• LogP: -2.27680
• Water Solubility.: g/100g H2O: 0.026 (0°C), 0.034 (20°C), 0.130 (80°C) [LAN05]; soluble dilute HCl, HNO3 [MER06]
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 187.9633787
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.[Ca+2]
• Isomeric SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Ca+2]
• Description: Calcium tartrate is a by product of the wine industry, prepared from wine fermentation dregs. It is the calcium salt of tartaric acid, an acid most commonly found in ripe grapes. Its solubility decreases with colder temperature, which results in the forming of whitish (in red wine often reddish) crystalline clusters as it precipitates. It finds use as a food preservative and acidity regulator. Like tartaric acid, calcium tartrate has two asymmetric carbons, hence it has two chiral isomers and a non-chiral isomer (meso-form). Most calcium tartrate of biological origin is the chiral levorotatory (–) isomer.

Technology Process of Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1)

There total 5 articles about Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.95%

D-tartaric acid (147-71-7,138508-61-9) + water (7732-18-5) + calcium acetate (62-54-4) → calcium l-tartrate*4H2O (5892-21-7,22547-87-1,60295-80-9,66018-88-0,66905-75-7,92752-17-5,134841-46-6,3164-34-9)

Guidance literature:

In acetic acid; addn. of 15 ml 95 % ethanol to mixture of 50 ml 1 % l-tartaric acid soln. and 10 ml Ca(CH3CO2)2 soln. (preparation for 1 l: 32 g CaCO3, 120 ml pure acetic acid, rest H2O); add. of further 15 ml 95 % ethanol after 24 hs; complete pptn. after 48 hs;; washing 3 times by decantation, pressing on filter paper, drying at ambient temp.;;

Reference yield: 61.0%

meso-tartaric acid (147-73-9,138508-61-9) → calcium mesotartrate (815-79-2,3164-34-9,5743-33-9,15808-04-5,22438-81-9,52788-72-4,109620-17-9,110720-66-6)

Guidance literature:

With calcium acetate; In water; at 150 ℃; for 48h; Autoclave;

DOI:10.1021/ja905690t

Reference yield:

calcium mesotartrate*H2O → calcium mesotartrate (815-79-2,3164-34-9,5743-33-9,15808-04-5,22438-81-9,52788-72-4,109620-17-9,110720-66-6)

Guidance literature:

In neat (no solvent); byproducts: H2O; loss of 1 mol H2O over 150°C;;

upstream raw materials:

calcium mesotartrate*3H₂O

meso-tartaric acid

D-tartaric acid

water

Downstream raw materials:

calcium tartrate tetrahydrate

Refernces