calcium bis((2R,3S)-2,3,4-trihydroxybutanoate)

Basic Information

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CAS Number

70753-61-6

Molecular Formula

C8H14CaO10

Molecular Weight

310.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

>300 °C

Boiling Point

518.9°C at 760 mmHg

Density

1.3250

Water Solubility

Soluble in water. Sparingly soluble in methanol.

Flash Point

281.7°C

Refractive Index

15 ° (C=1, H2O)

Specific Rotation

16 º (c=1, H2O)

SMILES

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C(C(C(C(=O)[O-])O)O)O.C(C(C(C(=O)[O-])O)O)O.[Ca+2]

InChI

InChI=1S/2C4H8O5.Ca/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;;+2/p-2/t2*2-,3+;/m00./s1

InChIKey

ZJXGOFZGZFVRHK-BALCVSAKSA-L

LogP

-4.64830

Complexity

95.6

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

70753-61-6
(+)-CALCIUM L-THREONATE
Butanoic acid, 2,3,4-trihydroxy-, calcium salt (2:1), (2R,3S)-
AM83965
Calcium threonate
L-Threonic acid calcium salt
AS-15587
C8H14CaO10
L-Threonic acid hemicalcium salt
calcium bis((2R,3S)-2,3,4-trihydroxybutanoate)
ZJXGOFZGZFVRHK-BALCVSAKSA-L
T1799
CALCIUM L-THREONATE [USP-RS]
Threonine, calcium salt
Calcium (2R,3S)-2,3,4-trihydroxybutanoate
Q27279843
DB11168
D70314
Calcium L-Threonate
AKOS015896710
UNII-HBB4YPO93U
EN300-19084672
HBB4YPO93U
CALCIUM L-THREONATE [WHO-DD]
Butanoic acid, 2,3,4-trihydroxy-, calcium salt (2:1), (R-(R*,S*))-
A836980
CALCIUM L-THREONATE
L-THREONIC ACID CALCIUM SALT
L-THREONIC ACID HEMICALCIUM SALT
L-Threonic Acid Calcium
L-threonic acid hemicalciumsalz

MDL Number

MFCD23701631

Customs Code

2942000000

FAQ

What is calcium bis((2R,3S)-2,3,4-trihydroxybutanoate) (CAS: 70753-61-6)?

Calcium bis((2R,3S)-2,3,4-trihydroxybutanoate) (CAS: 70753-61-6) is a calcium salt with a molecular formula of Ca(C4H8O7)2. It features stereochemistry at the 2R,3S configuration and contains three hydroxyl groups on the butanoate chain, making it highly soluble in water. This compound is known for its chelating properties and is used in various chemical applications requiring calcium coordination.

What are the main uses of calcium bis((2R,3S)-2,3,4-trihydroxybutanoate) (CAS: 70753-61-6)?

Calcium bis((2R,3S)-2,3,4-trihydroxybutanoate) (CAS: 70753-61-6) is primarily used in pharmaceuticals as a calcium supplement or excipient, in the food industry as a stabilizer, and in research for studying calcium metabolism. It also serves as a chelating agent in industrial processes, helping to control metal ion activity in chemical reactions.

Is calcium bis((2R,3S)-2,3,4-trihydroxybutanoate) (CAS: 70753-61-6) safe?

Calcium bis((2R,3S)-2,3,4-trihydroxybutanoate) (CAS: 70753-61-6) is generally considered safe when handled properly. It has low toxicity and is non-irritating, but standard safety precautions should be followed, such as wearing gloves and goggles. Safety data sheets (SDS) recommend adherence to OSHA and EPA guidelines for chemical handling.

How should calcium bis((2R,3S)-2,3,4-trihydroxybutanoate) (CAS: 70753-61-6) be stored?

Calcium bis((2R,3S)-2,3,4-trihydroxybutanoate) (CAS: 70753-61-6) should be stored in a cool, dry place at 2-8°C, away from light. It requires airtight containers to prevent moisture absorption and should be kept in a well-ventilated area. Proper storage ensures stability and maintains its chemical integrity over time.