(1,2-13C2)Octanoic acid

Base Information

• Chemical Name: (1,2-13C2)Octanoic acid
• CAS No.: 202114-57-6
• Molecular Formula: C8H16O2
• Molecular Weight: 146.23
• European Community (EC) Number: 694-219-4
• DSSTox Substance ID: DTXSID20584392
• Wikidata: Q82476044
• Mol file: 202114-57-6.mol

Synonyms:(1,2-13C2)Octanoic acid;202114-57-6;SCHEMBL1332356;DTXSID20584392;(1,2-~13~C_2_)Octanoic acid;Octanoic acid-1,2-13C2, 99 atom % 13C

Chemical Property of (1,2-13C2)Octanoic acid

Chemical Property:

• Melting Point: 16 °C(lit.)
• Boiling Point: 237 °C(lit.)
• Flash Point: >230 °F
• PSA: 37.30000
• Density: 0.922 g/mL at 25 °C
• LogP: 2.43150
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 146.121739420
• Heavy Atom Count: 10
• Complexity: 89.3

Purity/Quality:

98% ^*data from raw suppliers

OCTANOIC ACID-1,2-13C2 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/39-45

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCC(=O)O
• Isomeric SMILES: CCCCCC[13CH2][13C](=O)O