prop-1-ene

• ChemBase ID: 129128
• Molecular Formular: C3H6
• Molecular Mass: 42.07974
• Monoisotopic Mass: 42.04695019
• SMILES: C=CC
• Canonical SMILES: CC=C
• InChI: InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
• InChIKey: QQONPFPTGQHPMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-1-ene
• IUPAC Traditional name: propylene
• Synonyms: Propene; Propene; Propylene; 丙烯

Database IDs

• CAS Number: 115-07-1
• EC Number: 204-062-1
• MDL Number: MFCD00009279
• Beilstein Number: 1696878
• PubChem SID: 24857803; 24887954; 162223427
• PubChem CID: 8252
• CHEBI ID: 16052
• CHEMBL: 117213
• Chemspider ID: 7954
• KEGG ID: C11505
• Wikipedia Title: Propene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.493444
• LogD (pH = 7.4): 1.493444
• Log P: 1.493444
• Molar Refractivity: 15.6493 cm^3
• Polarizability: 6.0681925 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.61 g/m^3 in water
• Apperance: Colorless gas
• Melting Point: - 185.2°C; -185 °C(lit.)
• Boiling Point: - 47.6°C; -47.7 °C(lit.)
• Flash Point: -108 °C; -162.4 °F
• Auto Ignition Point: 860 °F
• Density: 1.81 kg/m^3, gas (1.013 bar, 15 °C); 613.9 kg/m^3, liquid
• Vapor Pressure: 15.4 atm ( 37.7 °C)
• Vapor Density: 1.48 (vs air)
• Viscosity: 8.34 μPa·s at 16.7 °C

Safety Information

• RTECS: UC6740000
• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1077; 1077; In Liquefied petroleum gas: 1075
• German water hazard class: nwg
• Hazard Class: 2.1
• Risk Statements: 12
• Safety Statements: 9-16-33
• GHS Pictograms: GHS02; GHS04
• GHS Signal Word: Danger
• Main Hazard: Highly flammable,; Asphyxiant
• NFPA704:
  

  4

  1

  1
• Explode Limits: 11.1 %
• GHS Hazard statements: H220-H280
• GHS Precautionary statements: P210-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1077 2.1

Product Information

• Purity: ≥98.0% (GC); ≥99%
• Grade: purum
• Linear Formula: CH3CH=CH2

DETAILS

Sigma Aldrich - 295663

Packaging
100, 300 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

Sigma Aldrich - 82222

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~800 g