(ethenyloxy)cyclohexane

• ChemBase ID: 151338
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: C=COC1CCCCC1
• Canonical SMILES: C=COC1CCCCC1
• InChI: InChI=1S/C8H14O/c1-2-9-8-6-4-3-5-7-8/h2,8H,1,3-7H2
• InChIKey: VGIYPVFBQRUBDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethenyloxy)cyclohexane
• IUPAC Traditional name: (ethenyloxy)cyclohexane
• Synonyms: Cyclohexyl vinyl ether; (Vinyloxy)cyclohexane; 环己基乙烯基醚

Database IDs

• CAS Number: 2182-55-0
• EC Number: 218-561-7
• MDL Number: MFCD00046358
• PubChem SID: 24865678; 162245493
• PubChem CID: 75129

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4284945
• LogD (pH = 7.4): 2.4284945
• Log P: 2.4284945
• Molar Refractivity: 37.7189 cm^3
• Polarizability: 15.193465 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 147-148 °C(lit.)
• Flash Point: 35 °C; 95 °F
• Density: 0.891 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.454(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3271
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-19-38
• Safety Statements: 16-23-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 3
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: 95+%; 98%
• Linear Formula: C6H11OCH=CH2

DETAILS

Sigma Aldrich - 409936

Packaging
50 mL in glass bottle