4-Methylvaleric acid-1-13C

Base Information

• Chemical Name: 4-Methylvaleric acid-1-13C
• CAS No.: 286013-24-9
• Molecular Formula: C6H12 O2
• Molecular Weight: 117.17
• European Community (EC) Number: 693-150-7
• DSSTox Substance ID: DTXSID30560182
• Wikidata: Q82443180
• Mol file: 286013-24-9.mol

Synonyms:4-Methylvaleric acid-1-13C;286013-24-9;4-methyl(113C)pentanoic acid;DTXSID30560182;4-Methyl(1-~13~C)pentanoic acid;4-Methylvaleric acid-1-13C, 99 atom % 13C

Chemical Property of 4-Methylvaleric acid-1-13C

Chemical Property:

• Refractive Index: n20/D 1.4146(lit.)
• Boiling Point: 199-201 °C(lit.)
• PSA: 37.30000
• Density: 0.931 g/mL at 25 °C
• LogP: 1.50720
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 117.087084457
• Heavy Atom Count: 8
• Complexity: 76.6

Purity/Quality:

4-METHYLPENTANOIC ACID-1-13C 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 21-36/37/38-38
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC(=O)O
• Isomeric SMILES: CC(C)CC[13C](=O)O