hexacosane

• ChemBase ID: 104830
• Molecular Formular: C26H54
• Molecular Mass: 366.70696
• Monoisotopic Mass: 366.42255173
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
• InChIKey: HMSWAIKSFDFLKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacosane
• IUPAC Traditional name: hexacosane
• Synonyms: Hexacosane; HEXACOSANE; n-Hexacosane; n-HEXACOSANE; 正二十六烷

Database IDs

• CAS Number: 630-01-3
• EC Number: 211-124-1
• MDL Number: MFCD00009354
• Beilstein Number: 1705609
• PubChem SID: 24867955; 24874230; 24874231; 24854320; 162091989
• PubChem CID: 12407

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.0225115
• LogD (pH = 7.4): 12.0225115
• Log P: 12.0225115
• Molar Refractivity: 121.4282 cm^3
• Polarizability: 48.76876 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: chloroform: soluble0.1 g/mL, clear
• Apperance: Crystalline
• Melting Point: 55-58 °C; 55-58 °C(lit.); 56-58 °C; 56-58°C

Safety Information

• RTECS: 211-124-1
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315
• GHS Precautionary statements: P280-P264-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (GC); ≥99.0% (GC); 99%
• Grade: analytical standard; puriss.
• Packaging: ampule of 1000 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)24CH3

DETAILS

MP Biomedicals - 02157344

Purity: 99%
Crystalline

MP Biomedicals - 05224879

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 241687

Packaging
1, 5 g in glass bottle
250 mg in glass bottle