pentacosanoic acid

• ChemBase ID: 107640
• Molecular Formular: C25H50O2
• Molecular Mass: 382.6633
• Monoisotopic Mass: 382.38108084
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)
• InChIKey: MWMPEAHGUXCSMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentacosanoic acid
• IUPAC Traditional name: pentacosanoic acid
• Synonyms: Pentacosanoic acid; PENTACOSANOIC ACID

Database IDs

• CAS Number: 506-38-7
• EC Number: 208-036-0
• MDL Number: MFCD00020551
• PubChem SID: 162093924; 24898995
• PubChem CID: 10468

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 9.601895
• LogD (pH = 7.4): 7.84276
• Log P: 10.257701
• Molar Refractivity: 118.4926 cm^3
• Polarizability: 47.320415 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 23
• 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: 2-8°C

Product Information

• Purity: ≥99% (capillary GC)

DETAILS

MP Biomedicals - 05204428

MP Biomedicals Rare Chemical collection