dodec-1-ene

• ChemBase ID: 73713
• Molecular Formular: C12H24
• Molecular Mass: 168.31896
• Monoisotopic Mass: 168.18780077
• SMILES: C=CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCC=C
• InChI: InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
• InChIKey: CRSBERNSMYQZNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodec-1-ene
• IUPAC Traditional name: 1-dodecene; dodec-1-ene
• Synonyms: α-Dodecene; Dodec-1-ene; Dodecene-1; Adacene 12; Dodecylene; 1-Dodecene; 1-DODECENE; Dodec-1-ene; 1-十二烯

Database IDs

• CAS Number: 112-41-4
• EC Number: 203-968-4
• MDL Number: MFCD00008961
• Beilstein Number: 1699848
• PubChem SID: 24867663; 24867662; 24893658; 162038632
• PubChem CID: 8183
• Chemspider ID: 7891
• Wikipedia Title: 1-Dodecene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4945617
• LogD (pH = 7.4): 5.4945617
• Log P: 5.4945617
• Molar Refractivity: 57.0583 cm^3
• Polarizability: 22.682592 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in water; Soluble in ethanol, ethyl ether, and acetone
• Apperance: colorless liquid with a mild, pleasant odor.
• Melting Point: -35 °C(lit.); -35.2 °C; -37°C
• Boiling Point: 212-213°C; 213.8?C; 214-216 °C(lit.)
• Flash Point: 163.4 °F; 73 °C; 73°C(163°F)
• Auto Ignition Point: 491 °F
• Density: 0.758; 0.758 g/mL at 20 °C(lit.); 0.7584 g/cm^3
• Refractive Index: 1.4300; n20/D 1.429(lit.); n20/D 1.430
• Vapor Pressure: 0.0159 mm Hg at 25 °C; 0.2 mmHg ( 20 °C)
• Vapor Density: 5.8 (vs air)

Safety Information

• Storage Warning: Flammable
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38-65; 43
• Safety Statements: 36/37; 37-62; R
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• Main Hazard: Irritates skin and eyes, harmful if swallowed, wear safety glasses and have adequate ventilation
• NFPA704:
  

  1

  0

  0
• Explode Limits: ~4.7 %
• GHS Hazard statements: H304-H315-H227; H317
• GHS Precautionary statements: P280; P280G-P301+P330+P331-P315
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥90% (GC); ≥99.0% (GC); ≥99.5% (GC); 95%; 95+%; 96%
• Grade: analytical standard; technical
• Impurities: ≤2.0% 2-butyl-1-octene; ≤2.0% 2-ethyl-1-decene; ≤2.0% n-dodecane
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)9CH=CH2

DETAILS

Sigma Aldrich - D221600

Packaging
100, 500 g in glass bottle

Sigma Aldrich - 44148

Packaging
10, 50 mL in glass bottle