(²H₃₅)Octadecanoic Acid
[CAS# 17660-51-4]

Identification

• Classification: Analytical chemistry >> Food safety >> Fatty acid, fatty acid methyl ester
• Name: (²H₃₅)Octadecanoic Acid
• Synonyms: (?H??)octadecanoic acid; [17660-51-4]; deuterated octadecanoic acid
• Molecular Formula: C₁₈HD₃₅O₂
• Molecular Weight: 319.69
• CAS Registry Number: 17660-51-4
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
• InChI: 1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2
• InChIKey: QIQXTHQIDYTFRH-KNAXIHRDSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: 68-70°C (Expl.)
• Boiling point: 359.4±5.0°C at 760 mmHg (Cal.)
• Flash point: 162.4±12.5°C (Cal.)
• Refractive index: 1.456 (Cal.)