2-methylnonane

• ChemBase ID: 111821
• Molecular Formular: C10H22
• Molecular Mass: 142.28168
• Monoisotopic Mass: 142.1721507
• SMILES: CCCCCCCC(C)C
• Canonical SMILES: CCCCCCCC(C)C
• InChI: InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3
• InChIKey: SGVYKUFIHHTIFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylnonane
• IUPAC Traditional name: 2-methylnonane
• Synonyms: 2-METHYLNONANE; 2-Methylnonane; 2-甲基壬烷

Database IDs

• CAS Number: 871-83-0
• EC Number: 212-814-5
• MDL Number: MFCD00027321
• Beilstein Number: 1696990
• PubChem SID: 24885587; 162097217
• PubChem CID: 13379

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.751863
• LogD (pH = 7.4): 4.751863
• Log P: 4.751863
• Molar Refractivity: 47.7598 cm^3
• Polarizability: 19.216736 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 166°C; 166°C; 166-169 °C(lit.)
• Flash Point: 114.8 °F; 46 °C; 46°C(115°F)
• Density: 0.72; 0.726 g/ml; 0.726 g/mL at 20 °C(lit.)
• Refractive Index: 1.410; n20/D 1.410

Safety Information

• European Hazard Symbols: Flammable (F); X
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 10-65; R:18
• Safety Statements: 62; S:9-16-29
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H304-H226
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 3

Product Information

• Purity: ≥99.0% (GC); 99%
• Linear Formula: CH3(CH2)6CH(CH3)2

DETAILS

MP Biomedicals - 05221180

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 68070

Packaging
5 mL in glass bottle