octadec-1-ene

• ChemBase ID: 107643
• Molecular Formular: C18H36
• Molecular Mass: 252.47844
• Monoisotopic Mass: 252.28170115
• SMILES: CCCCCCCCCCCCCCCCC=C
• Canonical SMILES: CCCCCCCCCCCCCCCCC=C
• InChI: InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
• InChIKey: CCCMONHAUSKTEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadec-1-ene
• IUPAC Traditional name: octadecene
• Synonyms: 1-Octadecene; 1-OCTADECENE; alpha-Octadecene; Octadecylene; alpha-Olefin C18; n-1-Octadecene; Octadecene; 1-十八烯

Database IDs

• CAS Number: 112-88-9
• EC Number: 204-012-9
• MDL Number: MFCD00009003
• Beilstein Number: 1761067
• PubChem SID: 24898054; 24867771; 162088803; 24886718; 24886719
• PubChem CID: 8217
• CHEBI ID: 30824
• Chemspider ID: 7925
• Wikipedia Title: Octadecene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.161974
• LogD (pH = 7.4): 8.161974
• Log P: 8.161974
• Molar Refractivity: 84.6643 cm^3
• Polarizability: 33.763847 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Clear liquid
• Melting Point: 14-16 °C(lit.); 14-16 °C; 17-18 °C; 15-17°C
• Boiling Point: 178-179°C/15mm; 179 °C/15 mmHg(lit.); 315°C
• Flash Point: 149 °C; 154°C(309°F); 155°C (311°F); 300.2 °F
• Auto Ignition Point: 250°C (482°F); 482 °F
• Density: 0.789; 0.789 g/mL; 0.789 g/mL at 25 °C(lit.)
• Refractive Index: 1.4440; n20/D 1.444(lit.); n20/D 1.445
• Vapor Density: 0.71 (vs air)
• Transition Temperature: solidification point 17-19 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 53-65; 65-66
• Safety Statements: 62
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  1

  1

  0
• GHS Hazard statements: H304
• GHS Precautionary statements: P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Gloves
• Supplemental Hazard Statements: Repeated exposure may cause skin dryness or cracking.

Product Information

• Purity: ~85% (GC); ≥95.0% (GC); ≥99.5% (GC); 90%; tech. 90%
• Grade: analytical standard; technical; technical grade
• Packaging: ampule of 1000 mg
• Impurities: ≤2.0% 2-ethyl-1-hexadecene
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)15CH=CH2

DETAILS

Sigma Aldrich - O806

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Other Notes
Contains 2-octyl-1-decene, n-octadecane, 2-butyl-1-tetradecene, 2-hexyl-1-dodecene
Packaging
1 L in glass bottle
25 mL in glass bottle

Sigma Aldrich - 74740

Packaging
100, 500 mL in glass bottle