tetradecyl acetate

• ChemBase ID: 131504
• Molecular Formular: C16H32O2
• Molecular Mass: 256.42408
• Monoisotopic Mass: 256.24023026
• SMILES: CCCCCCCCCCCCCCOC(=O)C
• Canonical SMILES: CCCCCCCCCCCCCCOC(=O)C
• InChI: InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3
• InChIKey: IOUUIFSIQMVYKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecyl acetate
• IUPAC Traditional name: 1-tetradecanol acetate
• Synonyms: Tetradecyl acetate; Myristyl acetate; Tetradecyl acetate

Database IDs

• CAS Number: 638-59-5
• EC Number: 211-344-8
• MDL Number: MFCD00053737
• PubChem SID: 162225782
• PubChem CID: 12531

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.692134
• LogD (pH = 7.4): 5.692134
• Log P: 5.692134
• Molar Refractivity: 77.2964 cm^3
• Polarizability: 30.972935 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%