henicosane

• ChemBase ID: 109552
• Molecular Formular: C21H44
• Molecular Mass: 296.57406
• Monoisotopic Mass: 296.34430141
• SMILES: CCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
• InChIKey: FNAZRRHPUDJQCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: henicosane
• IUPAC Traditional name: heneicosane
• Synonyms: n-HENEICOSANE; n-Heneicosane; n-Heneicosane; Henicosane; Heneicosane; Heneicosane; 正二十一烷

Database IDs

• CAS Number: 629-94-7
• EC Number: 211-118-9
• MDL Number: MFCD00009346
• Beilstein Number: 1748500
• PubChem SID: 24873809; 24857231; 162096295; 24873807
• PubChem CID: 12403

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.799668
• LogD (pH = 7.4): 9.799668
• Log P: 9.799668
• Molar Refractivity: 98.4232 cm^3
• Polarizability: 39.53365 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 39-41 °C; 39-41 °C(lit.); 39-42 °C; 39-43°C
• Boiling Point: 100 °C/2 mmHg(lit.); 100°C/2mm; 356.1 °C/760 mmHg
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.792
• Vapor Pressure: <1 mmHg ( 20 °C)
• Vapor Density: 10.3 (vs air)

Safety Information

• RTECS: 211-118-9
• 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); 98%; 99%
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)19CH3

DETAILS

MP Biomedicals - 05211565

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 286052

Packaging
1, 10 g in glass bottle

Toronto Research Chemicals - H245500

Heneicosane is a long chain saturated aliphatic hydrocarbon found in coal tars and fossil organic matter. Heneicosane has a high flashpoint which makes it an inefficient fuel for use in the petrochemical industry. Heneicosane is usually present in the for

REFERENCES

• El-Kotb, M. et al.: Energy Stor. Recov, Until. Environ. Eff., 28, 1113 (2006): Gilmour, I. et al.: Org. Geochem., 6, 665 (1984)
• Zhang, J.-Y. et al.: Jiang. Huag., 36, 17 (1984)