hexacosan-1-ol

• ChemBase ID: 125159
• Molecular Formular: C26H54O
• Molecular Mass: 382.70636
• Monoisotopic Mass: 382.41746635
• SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C26H54O/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/h27H,2-26H2,1H3
• InChIKey: IRHTZOCLLONTOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacosan-1-ol
• IUPAC Traditional name: ceryl alcohol
• Synonyms: Ceryl alcohol; 1-Hexacosanol; 1-Hexacosanol; 蜡醇; 1-二十六醇

Database IDs

• CAS Number: 506-52-5
• EC Number: 208-044-4
• MDL Number: MFCD00002940
• Beilstein Number: 1783162
• PubChem SID: 162219509
• PubChem CID: 68171
• CHEBI ID: 28415
• Chemspider ID: 61478
• KEGG ID: C08381
• MeSH Name: 1-hexacosanol
• Unique Ingredient Identifier: M7SD300NNB
• Wikipedia Title: 1-Hexacosanol

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 10.585833
• LogD (pH = 7.4): 10.585833
• Log P: 10.585833
• Molar Refractivity: 123.3569 cm^3
• Polarizability: 49.328854 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 78-80 °C; 79-81 C
• Boiling Point: 240 C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (GC); 98%
• Quality: synthetic
• Linear Formula: CH3(CH2)25OH