2-methylnon-1-ene

• ChemBase ID: 73733
• Molecular Formular: C10H20
• Molecular Mass: 140.2658
• Monoisotopic Mass: 140.15650064
• SMILES: C=C(CCCCCCC)C
• Canonical SMILES: CCCCCCCC(=C)C
• InChI: InChI=1S/C10H20/c1-4-5-6-7-8-9-10(2)3/h2,4-9H2,1,3H3
• InChIKey: YLZQHQUVNZVGOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylnon-1-ene
• IUPAC Traditional name: 2-methylnon-1-ene
• Synonyms: 2-Methyl-1-nonene; 2-Methylnon-1-ene; 2-甲基-1-壬烯

Database IDs

• CAS Number: 2980-71-4
• MDL Number: MFCD00027320
• PubChem SID: 24847902; 162038652
• PubChem CID: 137784

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4042172
• LogD (pH = 7.4): 4.4042172
• Log P: 4.4042172
• Molar Refractivity: 47.5373 cm^3
• Polarizability: 18.989107 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100 °C/68 mmHg(lit.)
• Flash Point: 114.8 °F; 46 °C
• Density: 0.745 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.424(lit.)

Safety Information

• Storage Warning: Flammable
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-41
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)5CH2C(CH3)=CH2

DETAILS

Sigma Aldrich - 129410

Packaging
1 g in glass bottle