2-methylpropane

• ChemBase ID: 127880
• Molecular Formular: C4H10
• Molecular Mass: 58.1222
• Monoisotopic Mass: 58.07825032
• SMILES: CC(C)C
• Canonical SMILES: CC(C)C
• InChI: InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3
• InChIKey: NNPPMTNAJDCUHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropane
• IUPAC Traditional name: isobutane
• Synonyms: Isobutane; 2-Methylpropane; Isobutane; 异丁烷; 2-甲基丙烷

Database IDs

• CAS Number: 75-28-5
• EC Number: 200-857-2
• MDL Number: MFCD00008926
• Beilstein Number: 1730720
• PubChem SID: 24857785; 24878426; 162222197
• PubChem CID: 6360
• CHEBI ID: 30363
• Chemspider ID: 6120
• Gmelin ID: 1301
• KEGG ID: D04623
• Unique Ingredient Identifier: BXR49TP611
• Wikipedia Title: Isobutane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.084451
• LogD (pH = 7.4): 2.084451
• Log P: 2.084451
• Molar Refractivity: 20.1538 cm^3
• Polarizability: 8.135983 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless gas
• Melting Point: -160 °C(lit.); -233.15 - -33.15°C (40 - 240 K)
• Boiling Point: -12 °C(lit.); -13.15 - -9.14999999999998°C (260 - 264 K)
• Flash Point: -117.4 °F; -83 °C
• Auto Ignition Point: 460 °C; 860 °F
• Density: 2.064 g/mL at 25 °C(lit.); 2.51 mg mL^-1 (at 15 °C, 100 kPa)
• Vapor Pressure: 204.8 kPa (at 21 °C); 72.2 psi ( 37.7 °C)
• Vapor Density: 2.01 (21 °C, vs air)
• Henry Constant: 8.6 nmol Pa^-1 kg^-1
• Odor: Odorless
• Heat Capacity: 96.65 J K^-1 mol^-1
• Std enthalpy of combustion: -2.86959–-2.86841 MJ mol^-1
• Std enthalpy of formation: -134.8–-133.6 kJ mol^-1

Safety Information

• RTECS: TZ4300000
• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1969
• German water hazard class: 3
• Hazard Class: 2.1
• Risk Statements: 12; R12
• Safety Statements: 9-16; S2, S16
• EU Index: 601-004-00-0
• GHS Pictograms: GHS flame; GHS02; GHS04
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  4

  1

  0
• Explode Limits: 1.4–8.3%; 8.3 %
• GHS Hazard statements: 220; H220-H280
• GHS Precautionary statements: 210; P210-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1969 2.1

Product Information

• Purity: 99%; 99.995%
• Grade: puriss.
• Linear Formula: (CH3)3CH

DETAILS

Sigma Aldrich - 539821

Packaging
170 g in steel cylinder
Recommended products
Brass regulator Z146714 or brass control valve Z146943 is recommended.

Sigma Aldrich - 295450

Packaging
100, 350 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

Sigma Aldrich - 58351

Other Notes
Sales restrictions may apply
Packaging
pressure tin with 250 mL (net ~140 g)