Calcium 3-methyl-2-oxobutanoate

Base Information

• Chemical Name: Calcium 3-methyl-2-oxobutanoate
• CAS No.: 51828-94-5
• Molecular Formula: C5H8O3·1/2Ca
• Molecular Weight: 272.31
• Hs Code.: 2918300090
• European Community (EC) Number: 257-456-0
• UNII: 00T4085CBX
• DSSTox Substance ID: DTXSID60199787
• Nikkaji Number: J208.657C
• Wikidata: Q27231376
• Mol file: 51828-94-5.mol

Synonyms:calcium 3-methyl-2-oxobutanoate;51828-94-5;3-Methyl-2-oxobutyric Acid Calcium Salt;Calcium 3-Methyl-2-oxobutyrate;Calcium 3-methyl-2-oxobutyrate (1:2);calcium;3-methyl-2-oxobutanoate;UNII-00T4085CBX;00T4085CBX;EINECS 257-456-0;3-Methyl-2-oxobuttersaeure calciumsalz;Butanoic acid, 3-methyl-2-oxo-, calcium salt;C10H14CaO6;calcium3-methyl-2-oxobutanoate;SCHEMBL7647464;DTXSID60199787;Calcium bis(3-methyl-2-oxobutyrate);MFCD00002580;alpha-Ketoisovaleric acid calcium salt;calcium bis(3-methyl-2-oxobutanoate);AKOS015905595;AKOS015965075;.ALPHA.-KETOVALINE CALCIUM SALT;CALCIUM .ALPHA.-KETOISOVALERATE;AS-13158;calcium 3-methyl-2-oxidanylidene-butanoate;CS-0205398;FT-0640031;K0021;E78993;(RS)-3-METHYL-2-OXOBUTYRIC ACID CALCIUM;.ALPHA.-KETOISOVALERIC ACID CALCIUM SALT;A828803;W-105864;Q27231376;(RS)-3-METHYL-2-OXOBUTYRIC ACID CALCIUM [WHO-DD];BUTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT (2:1)

Chemical Property of Calcium 3-methyl-2-oxobutanoate

Chemical Property:

• Boiling Point: 170.2 °C at 760 mmHg
• Flash Point: 71 °C
• PSA: 86.74000
• LogP: 0.43800
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 270.0416290
• Heavy Atom Count: 17
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-2-oxobutyricAcidCalciumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)C(=O)[O-].CC(C)C(=O)C(=O)[O-].[Ca+2]
• Uses: 3-Methyl-2-oxobutyric Acid Calcium Salt is used in preparation of (Fluoreneylmethoxycarbonylamino)-methyl-butenoic Acid.