butane

• ChemBase ID: 92079
• Molecular Formular: C4H10
• Molecular Mass: 58.1222
• Monoisotopic Mass: 58.07825032
• SMILES: CCCC
• Canonical SMILES: CCCC
• InChI: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
• InChIKey: IJDNQMDRQITEOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butane
• IUPAC Traditional name: butane; butyl group
• Synonyms: butane fuel; butane gas; gas butane; Butane, fuel for Micro Torch; Butane; Butane; Butane 98+%; 丁烷

Database IDs

• CAS Number: 106-97-8
• EC Number: 203-448-7
• MDL Number: MFCD00009424
• Beilstein Number: 969129
• PubChem SID: 24868067; 162078777; 24872900; 24851369
• PubChem CID: 7843
• CHEBI ID: 37808
• CHEMBL: 134702
• Chemspider ID: 7555
• Gmelin ID: 1148
• KEGG ID: D03186
• MeSH Name: butane
• Unique Ingredient Identifier: 6LV4FOR43R
• Wikipedia Title: Butane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2420006
• LogD (pH = 7.4): 2.2420006
• Log P: 2.2420006
• Molar Refractivity: 20.2062 cm^3
• Polarizability: 8.135983 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 61 mg L^-1 (at 20 °C) in water
• Apperance: Colorless gas; gas
• Melting Point: -138 °C(lit.); -138°C; -140.15 - -134.15°C (133 - 139 K)
• Boiling Point: -0.5 °C(lit.); -1 to 0°C; -1.14999999999998 - 0.850000000000023°C (272 - 274 K)
• Flash Point: -117 °F; -60°C (-76°F); -83 °C
• Auto Ignition Point: 288°C (550.4°F); 761 °F
• Density: 0.579; 0.579 g/mL at 20 °C(lit.); 2.48 g dm^-3 (at 15 °C)
• Vapor Pressure: ~25 PSI (at 50 °F); 51.6 psi ( 37.7 °C)
• Vapor Density: 2.11 (vs air)
• Partition Coefficient: 2.745
• Henry Constant: 11 nmol Pa^-1 kg^-1
• Odor: Odorless
• Heat Capacity: 98.49 J K^-1 mol^-1
• Std enthalpy of combustion: -2.8781–-2.8769 MJ mol^-1
• Std enthalpy of formation: -126.3–-124.9 kJ mol^-1

Safety Information

• Storage Warning: Extremely Flammable
• RTECS: EJ4200000
• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1011; 2037
• German water hazard class: -; nwg
• 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: 1.8–8.4%; 8.4 %
• GHS Hazard statements: 220; H220-H280
• GHS Precautionary statements: 210; P210-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1011 2.1; UN 2037 2.1

Product Information

• Purity: ≥99.0% (GC); 99%
• Concentration: 1% in helium
• Packaging: pkg of 156 g
• Impurities: ≤50 mg/kg S; 2,2-dimethyl-propane; isobutane
• Linear Formula: CH3CH2CH2CH3
• Empirical Formula (Hill Notation): C4H10

DETAILS

Apollo Scientific Ltd - OR8385

Cylinder

Sigma Aldrich - 494402

Packaging
170 g in steel cylinder
Recommended products
Brass control valve Z146943 or either of brass regulators Z146706 and Z146714 is recommended.

Sigma Aldrich - 18921

Other Notes
Sales restrictions may apply
Packaging
pressure tin with 250 mL (net ~145 g)

Sigma Aldrich - 443670

General description

• Triple-refined formula reduces clogging of filters
• Special vapor pressure promotes consistent ignition
• Contains no CFC’s, canister includes single-piece universal filling tip
• Recommended refill for all Ultratorch® & Master Butane-powered products
• 26g of butane fuel per can
Legal Information
Ultratorch is a registered trademark of Master Appliance Corp.

Sigma Aldrich - 321575

Application
For calibrating analytical instruments.
Packaging
Packaged in lightweight no-return cylinder
Recommended products
Control valve Z166995 or regulator Z167002 is recommended.