1-(ethenyloxy)dodecane

• ChemBase ID: 145696
• Molecular Formular: C14H28O
• Molecular Mass: 212.37152
• Monoisotopic Mass: 212.21401552
• SMILES: CCCCCCCCCCCCOC=C
• Canonical SMILES: CCCCCCCCCCCCOC=C
• InChI: InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-4-2/h4H,2-3,5-14H2,1H3
• InChIKey: LAYAKLSFVAPMEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethenyloxy)dodecane
• IUPAC Traditional name: 1-(ethenyloxy)dodecane
• Synonyms: Dodecyl vinyl ether; 十二烷基乙烯基醚

Database IDs

• CAS Number: 765-14-0
• EC Number: 212-141-7
• MDL Number: MFCD00048443
• PubChem SID: 24865868; 162239899
• PubChem CID: 69826

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.509672
• LogD (pH = 7.4): 5.509672
• Log P: 5.509672
• Molar Refractivity: 67.3863 cm^3
• Polarizability: 27.010439 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 117-120 °C(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 0.817 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4382(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)11OCH=CH2

DETAILS

Sigma Aldrich - 413496

Packaging
1 L in glass bottle
250 mL in glass bottle