icosane

• ChemBase ID: 110466
• Molecular Formular: C20H42
• Molecular Mass: 282.54748
• Monoisotopic Mass: 282.32865134
• SMILES: CCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
• InChIKey: CBFCDTFDPHXCNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: icosane
• IUPAC Traditional name: eicosane
• Synonyms: Eicosane-4-C12; NSC 62789; n-Eicosane; Icosane; Eicosane; Eicosane; DIDECYL, 97%; Icosane; n-Eicosane; 正二十烷

Database IDs

• CAS Number: 112-95-8
• EC Number: 204-018-1
• MDL Number: MFCD00009344
• Beilstein Number: 1700722
• PubChem SID: 24867952; 24853117; 24868391; 24868388; 162096472
• PubChem CID: 8222
• CHEBI ID: 43619
• CHEMBL: 1233983
• Chemspider ID: 7929
• MeSH Name: eicosane
• Unique Ingredient Identifier: 3AYA9KEC48
• Wikipedia Title: Icosane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.3551
• LogD (pH = 7.4): 9.3551
• Log P: 9.3551
• Molar Refractivity: 93.8222 cm^3
• Polarizability: 37.686634 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Colorless, waxy crystals; white waxy solid
• Melting Point: 35.85 - 37.85°C (309 - 311 K); 35-37 °C(lit.); 36-38 °C; 36-38°C; 37-40 °C
• Boiling Point: 220 °C/30 mmHg(lit.); 220°C/30mm; 343.05°C (616.2K)
• Flash Point: >113 °C; >235.4 °F; 176°C(348°F)
• Density: 0.7888
• Refractive Index: 1.4425
• Vapor Density: 9.8 (vs air)
• Partition Coefficient: 10.897
• Henry Constant: 31 μmol Pa^-1 kg^-1
• Odor: Odorless
• Heat Capacity: 602.5 J K^-1 mol^-1 (at 6.0 °C)
• Std molar entropy: 558.6 J K^-1 mol^-1

Safety Information

• 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%; ≥97.0% (GC); ≥99.5% (GC); 97%; 99%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)18CH3

DETAILS

MP Biomedicals - 05215128

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 219274

Packaging
5, 100, 500 g in glass bottle

Toronto Research Chemicals - E477490

Eicosane is a long chain saturated aliphatic hydrocarbon. Eicosane has a high flashpoint which makes it an inefficient fuel for use in the petrochemical industry. Eicosane is used to form candles and paraffin waxes with solar energy storage capacity.

REFERENCES

• El-Kotb, M. et al.: Energy Stor. Recov, Until. Environ. Eff., 28, 1113 (2006): Gilmour, I. et al.: Org. Geochem., 6, 665 (1984)