pentacosane

• ChemBase ID: 104482
• Molecular Formular: C25H52
• Molecular Mass: 352.68038
• Monoisotopic Mass: 352.40690166
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
• InChIKey: YKNWIILGEFFOPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentacosane
• IUPAC Traditional name: pentacosane
• Synonyms: n-Pentacosane; Pentacosane; n-PENTACOSANE; 正二十五烷; 二十五烷

Database IDs

• CAS Number: 629-99-2
• EC Number: 211-123-6
• MDL Number: MFCD00009353
• Beilstein Number: 1763638
• PubChem SID: 24867968; 24887002; 24857256; 24887003; 162091465
• PubChem CID: 12406

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.577943
• LogD (pH = 7.4): 11.577943
• Log P: 11.577943
• Molar Refractivity: 116.8272 cm^3
• Polarizability: 46.921738 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Wax
• Melting Point: 52-54 °C; 53°C; 53.3°C; 53-56 °C(lit.)
• Boiling Point: 169-170 °C/0.05 mmHg(lit.); 259°C/15mm
• Flash Point: 120 °C; 248 °F
• Density: 0.7785
• Refractive Index: 1.4380

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: 211-123-6
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (GC); ≥99.5% (GC); 99%
• Grade: analytical standard; purum
• Packaging: ampule of 250 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)23CH3

DETAILS

MP Biomedicals - 02156069

Purity: 99%
Crystalline

MP Biomedicals - 05225426

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 286931

Packaging
1, 5 g in glass bottle