docosyl acetate

• ChemBase ID: 104133
• Molecular Formular: C24H48O2
• Molecular Mass: 368.63672
• Monoisotopic Mass: 368.36543078
• SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)C
• InChI: InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h3-23H2,1-2H3
• InChIKey: AWYRDXDPCQRJHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docosyl acetate
• IUPAC Traditional name: docosyl acetate
• Synonyms: Acetic acid behenyl ester; BEHENYL ACETATE; Behenyl acetate

Database IDs

• CAS Number: 822-26-4
• MDL Number: MFCD00056277
• PubChem SID: 24891779; 162091485
• PubChem CID: 69969

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.248683
• LogD (pH = 7.4): 9.248683
• Log P: 9.248683
• Molar Refractivity: 114.1044 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

• Storage Condition: 0°C
• 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%; 99%

DETAILS

MP Biomedicals - 02154818

(Acetic acid behenyl ester) Purity: 99% Crystalline