nonadecane

• ChemBase ID: 110933
• Molecular Formular: C19H40
• Molecular Mass: 268.5209
• Monoisotopic Mass: 268.31300128
• SMILES: CCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
• InChIKey: LQERIDTXQFOHKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecane
• IUPAC Traditional name: nonadecane
• Synonyms: n-Nonadecane; n-NONADECANE; Nonadecane; NSC 77136; n-Nonadecane; Nonadecane; 正十九烷

Database IDs

• CAS Number: 629-92-5
• EC Number: 211-116-8
• MDL Number: MFCD00009012
• Beilstein Number: 1742892
• PubChem SID: 24886656; 162096980; 24867963; 24886655; 24897604
• PubChem CID: 12401

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.91053
• LogD (pH = 7.4): 8.91053
• Log P: 8.91053
• Molar Refractivity: 89.2212 cm^3
• Polarizability: 35.83962 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: white semisolid
• Melting Point: 30-34 °C; 30-34 °C(lit.); 32-34 °C; 32-34°C
• Boiling Point: 330 °C(lit.); 330-331°C
• Flash Point: 100 °C; 168°C(334°F); 212 °F
• Auto Ignition Point: 446 °F
• Density: 0.786; 0.786 g/mL at 25 °C(lit.)
• Refractive Index: 1.4410
• Vapor Pressure: 1 mmHg ( 133.2 °C)
• Vapor Density: 9.27 (vs air)

Safety Information

• RTECS: 211-116-8
• 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%; ≥99.0% (GC); ≥99.8% (GC); 95+%; 99%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)17CH3

DETAILS

MP Biomedicals - 05217070

MP Biomedicals Rare Chemical collection

Sigma Aldrich - N28906

Packaging
25, 100 g in glass bottle

Toronto Research Chemicals - N648950

Nonadecane is a long chain saturated aliphatic hydrocarbon. Nonadecane is found in tar from coal and other forssil organic matter. Nonadecane is used as a fragrance agent in cosmetics and perfumes.

REFERENCES

• Youtcheff, J.J. et al.: Org. Geochem., 5, 157 (1983): Etienne, J.J.: Riv. Ital. EPPOS, 15, 418 (1997)