2-methylbut-1-ene

• ChemBase ID: 77282
• Molecular Formular: C5H10
• Molecular Mass: 70.1329
• Monoisotopic Mass: 70.07825032
• SMILES: C=C(CC)C
• Canonical SMILES: CCC(=C)C
• InChI: InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3
• InChIKey: MHNNAWXXUZQSNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbut-1-ene
• IUPAC Traditional name: 2-methyl-1-butene
• Synonyms: 2-Methylbut-1-ene; 2-Methyl-1-butene; 2-甲基-1-丁烯

Database IDs

• CAS Number: 563-46-2
• EC Number: 209-250-7
• MDL Number: MFCD00009333
• Beilstein Number: 505975
• PubChem SID: 162042155; 24855592; 24884470; 24884469
• PubChem CID: 11240

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1813738
• LogD (pH = 7.4): 2.1813738
• Log P: 2.1813738
• Molar Refractivity: 24.5323 cm^3
• Polarizability: 9.757488 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -137 °C(lit.); -137°C; -137°C°C
• Boiling Point: 31 °C(lit.); 31°C°C; 31-32°C
• Flash Point: -48 °C; -48°C°C; -48°C(-54°F); -54.4 °F
• Density: 0.65 g/mL at 25 °C(lit.); 0.650; 0.651
• Refractive Index: 1.3740; 1.3780; n20/D 1.378; n20/D 1.378(lit.)
• Vapor Pressure: 9.98 psi ( 20 °C)

Safety Information

• Storage Warning: Extremely Flammable/Harmful
• European Hazard Symbols: Highly flammable (F+); X; Harmful (Xn)
• UN Number: 2459; UN2459
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; I
• Risk Statements: 12-65
• Safety Statements: 16-62
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H304
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2459 3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); ≥99.5% (GC); 98%
• Grade: analytical standard; purum
• Impurities: 1-pentene
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3CH2C(CH3)=CH2

DETAILS

Apollo Scientific Ltd - OR14507

Cylinder

Sigma Aldrich - 257486

Packaging
25 g in glass bottle