2-methylprop-1-ene

• ChemBase ID: 88429
• Molecular Formular: C4H8
• Molecular Mass: 56.10632
• Monoisotopic Mass: 56.06260026
• SMILES: C=C(C)C
• Canonical SMILES: CC(=C)C
• InChI: InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3
• InChIKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylprop-1-ene
• IUPAC Traditional name: isobutylene
• Synonyms: Isobutylene; 2-Methylpropene; Isobutene; 2-Methylprop-1-ene; γ-Butylene; 2-Methylpropylene; Methylpropene; 2-Methylprop-1-ene; Isobutylene; 异丁烯; 2-甲基丙烯

Database IDs

• CAS Number: 115-11-7
• EC Number: 204-066-3
• MDL Number: MFCD00008898
• Beilstein Number: 773645
• PubChem SID: 24857786; 162075387
• PubChem CID: 8255
• Chemspider ID: 7957
• Unique Ingredient Identifier: QA2LMR467H
• Wikipedia Title: Isobutylene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7368052
• LogD (pH = 7.4): 1.7368052
• Log P: 1.7368052
• Molar Refractivity: 19.9313 cm^3
• Polarizability: 7.912242 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Colorless gas
• Melting Point: -140 °C; -140°C; -140.3 oC
• Boiling Point: -6.9 °C(lit.); -6.9°C
• Flash Point: -112 °F; -80 °C; -80°C; flammable gas
• Auto Ignition Point: 465 °C (869 oF); 869 °F
• Density: 0.5879; 0.5879 g/cm^3, liquid
• Refractive Index: 1.3926
• Vapor Pressure: 3278 mmHg ( 37.7 °C)
• Vapor Density: 2 (vs air)

Safety Information

• Storage Warning: Extremely Flammable
• RTECS: UD0890000
• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1055; 1055; In Liquefied petroleum gas: 1075
• German water hazard class: nwg
• Hazard Class: 2.1
• Risk Statements: 12; R12
• Safety Statements: 9-16-33; S2, S9, S16, S33
• EU Index: 601-012-00-4
• GHS Pictograms: GHS02; : Flam. Gas 1; GHS04; : Press. Gas
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  4

  1

  0
• Explode Limits: 1.8–9.6%
• GHS Hazard statements: 220; H220-H280
• GHS Precautionary statements: 210, 377, 381, 403; P210-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1055 2.1

Product Information

• Purity: ≥99.0% (GC); ≥99.5%; 99%
• Grade: purum
• Impurities: ≤0.005% water; ≤0.1% 1-butene; ≤0.1% 2-butene; ≤0.2% isobutane; ≤0.2% n-butane; 1-butene; isobutane
• Linear Formula: (CH3)2C=CH2

DETAILS

Apollo Scientific Ltd - OR40492

Cylinder - 1/4" NPTM connection

Sigma Aldrich - 295469

Other Notes
It is recommended that Brass hose adapter Z146811 is used for the 1 kg Sure-Pac.
Packaging
1 kg in Sure-Pac™
100, 400 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

Sigma Aldrich - 58556

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~14 kg

Sigma Aldrich - 58551

Other Notes
Sales restrictions may apply
Packaging
pressure tin with 250 mL (net ~150 g)

Sigma Aldrich - 58552

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~3.6 kg