but-2-ene

• ChemBase ID: 125258
• Molecular Formular: C4H8
• Molecular Mass: 56.10632
• Monoisotopic Mass: 56.06260026
• SMILES: C(=CC)C
• Canonical SMILES: CC=CC
• InChI: InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3
• InChIKey: IAQRGUVFOMOMEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: but-2-ene; (2Z)-but-2-ene
• IUPAC Traditional name: 2-butene; cis-2-butene
• Synonyms: β-Butylene; 2-Butene; cis-2-Butene; 2-Butene, mixture of cis and trans; 顺式-2-丁烯; 2-丁烯，顺式和反式混合物

Database IDs

• CAS Number: 107-01-7; 590-18-1
• EC Number: 209-673-7; 203-452-9
• MDL Number: MFCD00064458; MFCD00009294
• Beilstein Number: 1361341; 1718755
• PubChem SID: 24864964; 24862193; 162219608
• PubChem CID: 12220
• CHEBI ID: 48363
• Chemspider ID: 11719
• Unique Ingredient Identifier: S1SK37516R
• Wikipedia Title: 2-Butene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8800789
• LogD (pH = 7.4): 1.8800789
• Log P: 1.8800789
• Molar Refractivity: 21.3228 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

• Melting Point: -138.9 °C (cis); -105.5 °C (trans); -139 °C(lit.); -140 °C(lit.)
• Boiling Point: 1 °C(lit.); 3.7 °C(lit.); 3.7 oC (cis); 0.9 °C (trans)
• Flash Point: 10.4 °F; -12 °C; -29.2 °F; -34 °C; -72°C (-97.6°F)
• Auto Ignition Point: 325°C (617°F); 615 °F
• Density: 0.641 g/mL (cis, at 3.7 °C); 0.626 g/mL (trans, at 0.9 °C)
• Vapor Pressure: 1.9 mmHg ( 0 °C); 1414 mmHg ( 21 °C)
• Vapor Density: 2 (vs air)

Safety Information

• RTECS: EM2932000
• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1012
• German water hazard class: 3; 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: 9.3 %; 9.7 %
• GHS Hazard statements: 220; H220; H220-H280
• GHS Precautionary statements: 210, 377, 381, 403; P210; P210-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1012 2.1

Product Information

• Purity: ≥99%; 95%
• Linear Formula: CH3CH=CHCH3

DETAILS

Sigma Aldrich - 400890

Packaging
25, 100 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

Sigma Aldrich - 295078

Recommended products
Brass regulator Z146706 or Z146714 is recommended.

Sigma Aldrich - 363359

Packaging
50, 200 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.