Octanoic acid-1,2,3,4-13C4

Base Information

• Chemical Name: Octanoic acid-1,2,3,4-13C4
• CAS No.: 159118-65-7
• Molecular Formula: C8H16 O2
• Molecular Weight: 148.25
• European Community (EC) Number: 693-214-4
• DSSTox Substance ID: DTXSID30584060
• Wikidata: Q82475691
• Mol file: 159118-65-7.mol

Synonyms:Octanoic acid-1,2,3,4-13C4;159118-65-7;Octanoic-1,2,3,4-13c4 acid;Octanoic acid-13C4;(1,2,3,4-13C4)octanoic acid;Caprylic acid-1,2,3,4-13C4;13C Labeled octanoic acid;SCHEMBL1331151;DTXSID30584060;HY-41417S4;(1,2,3,4-~13~C_4_)Octanoic acid;CS-0375828;J-009564;Octanoic acid-1,2,3,4-13C4, 99 atom % 13C, 99% (CP)

Chemical Property of Octanoic acid-1,2,3,4-13C4

Chemical Property:

• Melting Point: 16 °C(lit.)
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 237 °C(lit.)
• Flash Point: >230 °F(lit.)
• PSA: 37.30000
• Density: 0.929 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: 148.12844909
• Heavy Atom Count: 10
• Complexity: 89.3

Purity/Quality:

98% ^*data from raw suppliers

Octanoic acid-1,2,3,4-13C4 99 atom % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCC(=O)O
• Isomeric SMILES: CCCC[13CH2][13CH2][13CH2][13C](=O)O
• Uses: This product may be used as an analytical standard.