Hexadecanoic-d31 acid

• Catalog Number: ACM39756304
• Product Name: Hexadecanoic-d31 acid
• CAS: 39756-30-4
• Category: Heterocyclic Organic Compound
• Synonyms: Palmitic-D31 acid; Hexadecanoic-[D31] acid
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid
• Molecular Weight: 287.62
• Molecular Formula: C₁₆HD₃₁O₂
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
• InChI Key: IPCSVZSSVZVIGE-SAQPIRCFSA-N
• Boiling Point: 271.5 °C at 100 mmHg (lit.)
• Melting Point: 61-64 °C (lit.)
• Flash Point: 154.1ºC
• Density: 0.868 g/mL at 25 °C
• Appearance: Neat
• Chemical Formula: CD3(CD2)14COOH
• Exact Mass: 256.24000
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Isomeric 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(=O)O
• Safety Description: 26-36
• Stability: Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
• Storage Conditions: Store at room temperature