2,6,10,14-tetramethylpentadecane

• ChemBase ID: 105970
• Molecular Formular: C19H40
• Molecular Mass: 268.5209
• Monoisotopic Mass: 268.31300128
• SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C
• Canonical SMILES: CC(CCCC(C)C)CCCC(CCCC(C)C)C
• InChI: InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3
• InChIKey: XOJVVFBFDXDTEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6,10,14-tetramethylpentadecane
• IUPAC Traditional name: pristane
• Synonyms: Pristane; 2,6,10,14-Tetramethylpentadecane; PRISTANE; 2,6,10,14-四甲基十五烷; 姥鲛烷

Database IDs

• CAS Number: 1921-70-6
• EC Number: 217-650-8
• MDL Number: MFCD00008952
• Beilstein Number: 1720538
• PubChem SID: 24898367; 24899044; 162087662
• PubChem CID: 15979
• CHEBI ID: 53181
• Chemspider ID: 15182
• MeSH Name: pristane
• Wikipedia Title: Pristane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.280333
• LogD (pH = 7.4): 8.280333
• Log P: 8.280333
• Molar Refractivity: 89.0116 cm^3
• Polarizability: 35.83962 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Colourless liquid; liquid
• Melting Point: -100°C; 165-167°C; -99.95°C (173.2K)
• Boiling Point: 296°C; 68 °C/0.001 mmHg(lit.)
• Flash Point: >110 °C; >230 °F
• Density: 0.783 g/mL at 20 °C(lit.); 0.787 g/ml; 783 mg mL^-1
• Refractive Index: 1.438; n20/D 1.438(lit.)
• Heat Capacity: 569.76 J K^-1 mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: RZ1880000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38; R:36/37/38; R36/38
• Safety Statements: 26-36; S:20-25-26-37/39; S26, S36
• GHS Pictograms: GHS exclamation mark; GHS07
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 315; H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95%; ≥98% (GC)
• Impurities: endotoxin, tested
• Biological Source: from synthetic; synthetic
• Sterility: sterile-filtered
• Product Line: BioReagent
• Linear Formula: (CH3)2CH(CH2)3CH(CH3)(CH2)3CH(CH3)(CH2)3CH(CH3)2

DETAILS

MP Biomedicals - 02195455

(2,6,10,14-Tetramethylpentadecane)
1 ml = approx. 0.785 g
Useful as a biological marker.

Sigma Aldrich - P2870

Biochem/physiol Actions
A hydrocarbon oil adjuvant widely used to induce tumorgenesis in mice and arthritis and lupus nephritis in rats.
Packaging
100, 250, 500 mL in glass bottle

Sigma Aldrich - P9622

Application
Used to induce disease models for study including arthritis as a non-antigenic arthritogenic adjuvant and plasmacytomas.
Packaging
Packaged in flame sealed ampules.
General description
Pristane is a natural saturated terpenoid alkane used in research on the pathogenesis of autoimmune diseases such as arthritis and lupus.