Calcium 3-methyl-2-oxopentanoate

Base Information

• Chemical Name: Calcium 3-methyl-2-oxopentanoate
• CAS No.: 66872-75-1
• Molecular Formula: C12H18CaO6
• Molecular Weight: 298.35
• Hs Code.: 2918300090
• European Community (EC) Number: 266-505-5
• UNII: V3JCR2C58B
• DSSTox Substance ID: DTXSID70985496
• Nikkaji Number: J208.658A
• Wikidata: Q27291496
• Mol file: 66872-75-1.mol

Synonyms:calcium 3-methyl-2-oxopentanoate;66872-75-1;Calcium 3-Methyl-2-oxovalerate;3-Methyl-2-oxovaleric Acid Calcium Salt;Calcium DL-3-methyl-2-oxovalerate;calcium;3-methyl-2-oxopentanoate;UNII-V3JCR2C58B;V3JCR2C58B;EINECS 266-505-5;Calcium (1)-3-methyl-2-oxovalerate;calcium3-methyl-2-oxopentanoate;SCHEMBL11584832;DTXSID70985496;BCP13101;Calcium bis(3-methyl-2-oxovalerate);AKOS015915511;SB48205;AS-13157;calcium 3-methyl-2-oxidanylidene-pentanoate;CALCIUM 3-METHYL-2-OXOVALERATE, DL-;CS-0208673;FT-0656522;FT-0659172;K0022;CALCIUM BIS(3-METHYL-2-OXOPENTANOATE);H10988;A835573;(RS)-3 METHYL-2-OXOVALERIANIC ACID CALCIUM;Q27291496;(RS)-3 METHYL-2-OXOVALERIANIC ACID CALCIUM [WHO-DD];PENTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT (2:1);PENTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT, (+/-)-

Chemical Property of Calcium 3-methyl-2-oxopentanoate

Chemical Property:

• Boiling Point: 190.5 °C at 760 mmHg
• Flash Point: 83.3 °C
• PSA: 114.40000
• LogP: -1.29700
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Aqueous Base (Slightly), Water (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 298.0729291
• Heavy Atom Count: 19
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)C(=O)[O-].CCC(C)C(=O)C(=O)[O-].[Ca+2]