octacosane

• ChemBase ID: 104446
• Molecular Formular: C28H58
• Molecular Mass: 394.76012
• Monoisotopic Mass: 394.45385186
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
• InChIKey: ZYURHZPYMFLWSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octacosane
• IUPAC Traditional name: octacosane
• Synonyms: n-OCTACOSANE; Octacosane; n-Octacosane; 二十八烷; 正二十八烷

Database IDs

• CAS Number: 630-02-4
• EC Number: 211-125-7
• MDL Number: MFCD00009355
• Beilstein Number: 1770570
• PubChem SID: 162091462; 24886702; 24886703; 24867965; 24898009
• PubChem CID: 12408

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.911649
• LogD (pH = 7.4): 12.911649
• Log P: 12.911649
• Molar Refractivity: 130.6302 cm^3
• Polarizability: 52.46282 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 57-62 °C; 57-62 °C(lit.); 59-62 °C; 61°C; 61-63°C
• Boiling Point: 278 °C/15 mmHg(lit.); 278°C; 440°C
• Flash Point: 227°C(441°F)
• Vapor Pressure: <1 mmHg ( 20 °C)
• Vapor Density: 13.6 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~99% (GC); ≥98.0% (GC); 99%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)26CH3

DETAILS

MP Biomedicals - 05204421

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155964

Purity: 99% Crystalline

Sigma Aldrich - O504

Packaging
25 g in glass bottle