tetradecyl hexadecanoate

• ChemBase ID: 104471
• Molecular Formular: C30H60O2
• Molecular Mass: 452.7962
• Monoisotopic Mass: 452.45933116
• SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
• InChI: InChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
• InChIKey: UULYVBBLIYLRCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecyl hexadecanoate
• IUPAC Traditional name: tetradecyl hexadecanoate
• Synonyms: Myristyl palmitate; PALMITIC ACID MYRISTYL ESTER

Database IDs

• CAS Number: 4536-26-9
• EC Number: 224-884-4
• PubChem SID: 162091589
• PubChem CID: 78294

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 12.172063
• LogD (pH = 7.4): 12.172063
• Log P: 12.172063
• Molar Refractivity: 141.7363 cm^3
• Polarizability: 56.813908 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02156039

Purity: 99%
Crystalline