tricosan-1-ol

• ChemBase ID: 111400
• Molecular Formular: C23H48O
• Molecular Mass: 340.62662
• Monoisotopic Mass: 340.37051616
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C23H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h24H,2-23H2,1H3
• InChIKey: FPLNRAYTBIFSFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricosan-1-ol
• IUPAC Traditional name: tricosan-1-ol
• Synonyms: n-TRICOSANOL; 1-Tricosanol

Database IDs

• CAS Number: 3133-01-5
• EC Number: 221-527-4
• MDL Number: MFCD00044484
• PubChem SID: 24900426; 162096610
• PubChem CID: 18431

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 9.252127
• LogD (pH = 7.4): 9.252127
• Log P: 9.252127
• Molar Refractivity: 109.5539 cm^3
• Polarizability: 43.788353 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 21
• 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

DETAILS

MP Biomedicals - 05219019

MP Biomedicals Rare Chemical collection