2-methylpent-1-ene

• ChemBase ID: 137877
• Molecular Formular: C6H12
• Molecular Mass: 84.15948
• Monoisotopic Mass: 84.09390038
• SMILES: CCCC(=C)C
• Canonical SMILES: CCCC(=C)C
• InChI: InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3
• InChIKey: WWUVJRULCWHUSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpent-1-ene
• IUPAC Traditional name: 2-methyl-1-pentene
• Synonyms: 2-Methyl-1-pentene; 2-甲基-1-戊烯

Database IDs

• CAS Number: 763-29-1
• EC Number: 212-108-7
• MDL Number: MFCD00009405
• Beilstein Number: 1340499
• PubChem SID: 162232138; 24885808
• PubChem CID: 12986

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6259425
• LogD (pH = 7.4): 2.6259425
• Log P: 2.6259425
• Molar Refractivity: 29.1333 cm^3
• Polarizability: 11.603333 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -136 °C(lit.); -136°C
• Boiling Point: 62 °C(lit.); 62°C
• Flash Point: -16.6 °F; -17 °F; -27 °C; -27°C(-17°F)
• Auto Ignition Point: 572 °F
• Density: 0.682; 0.682 g/mL at 25 °C(lit.)
• Refractive Index: 1.392; n20/D 1.392; n20/D 1.392(lit.)
• Vapor Pressure: 325 mmHg ( 37.7 °C)

Safety Information

• RTECS: SB2230000
• European Hazard Symbols: Flammable (F)
• UN Number: 2288; UN2288
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11
• Safety Statements: 9-16-29-33; 9-16-33
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2288 3/PG 2

Product Information

• Purity: ≥99%; ≥99.0% (GC); 97%
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3CH2CH2C(CH3)=CH2

DETAILS

Sigma Aldrich - 68450

Packaging
5, 25 mL in glass bottle