dodecyl dodecanoate

• ChemBase ID: 131027
• Molecular Formular: C24H48O2
• Molecular Mass: 368.63672
• Monoisotopic Mass: 368.36543078
• SMILES: CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
• InChI: InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
• InChIKey: CYUUZGXOQDCCGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyl dodecanoate
• IUPAC Traditional name: dodecyl dodecanoate
• Synonyms: Lauric acid lauryl ester; Lauryl laurate; Dodecyl dodecanoate

Database IDs

• CAS Number: 13945-76-1
• EC Number: 237-725-9
• MDL Number: MFCD00056150
• PubChem SID: 162225305
• PubChem CID: 84113

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.50465
• LogD (pH = 7.4): 9.50465
• Log P: 9.50465
• Molar Refractivity: 114.1303 cm^3
• Polarizability: 45.73688 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 22
• 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