(1,2,3,4-¹³C₄)Octanoic Acid
[CAS# 159118-65-7]

Identification

• Classification: Analytical chemistry >> Food safety >> Fatty acid, fatty acid methyl ester
• Name: (1,2,3,4-¹³C₄)Octanoic Acid
• Synonyms: Caprylic acid-1,2,3,4-13C4; Octanoic acid-1,2,3,4-13C4; 493163_ALDRICH
• Molecular Formula: C₄₁₃C₄H₁₆O₂
• Molecular Weight: 148.18
• CAS Registry Number: 159118-65-7
• SMILES: CCCCCCCC(=O)O
• InChI: 1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i5+1,6+1,7+1,8+1
• InChIKey: WWZKQHOCKIZLMA-WKHKRNGSSA-N

Properties

• Density: 0.929g/cm³ (Cal.)
• Refractive index: 1.437 (Cal.)