tetradecyl dodecanoate

• ChemBase ID: 133070
• Molecular Formular: C26H52O2
• Molecular Mass: 396.68988
• Monoisotopic Mass: 396.3967309
• SMILES: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
• InChI: InChI=1S/C26H52O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-28-26(27)24-22-20-18-16-12-10-8-6-4-2/h3-25H2,1-2H3
• InChIKey: FNMPODAQERUMDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecyl dodecanoate
• IUPAC Traditional name: cerotic acid
• Synonyms: Lauric acid myristyl ester; Myristyl laurate; Myristyl dodecanoate

Database IDs

• CAS Number: 22412-97-1
• EC Number: 244-966-3
• MDL Number: MFCD00056200
• PubChem SID: 24896457; 162227347
• PubChem CID: 89700

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 10.393787
• LogD (pH = 7.4): 10.393787
• Log P: 10.393787
• Molar Refractivity: 123.3323 cm^3
• Polarizability: 49.428974 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥99%