2-(ethenyloxy)-2-methylbutane

• ChemBase ID: 138740
• Molecular Formular: C7H14O
• Molecular Mass: 114.18546
• Monoisotopic Mass: 114.10446507
• SMILES: CCC(C)(C)OC=C
• Canonical SMILES: CCC(OC=C)(C)C
• InChI: InChI=1S/C7H14O/c1-5-7(3,4)8-6-2/h6H,2,5H2,1,3-4H3
• InChIKey: CYADZXMTKIHVMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethenyloxy)-2-methylbutane
• IUPAC Traditional name: 2-(ethenyloxy)-2-methylbutane
• Synonyms: tert-Pentyl vinyl ether; 叔戊基乙烯醚

Database IDs

• CAS Number: 29281-39-8
• MDL Number: MFCD00192385
• PubChem SID: 162232991; 24865685
• PubChem CID: 537787

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.205706
• LogD (pH = 7.4): 2.205706
• Log P: 2.205706
• Molar Refractivity: 35.0343 cm^3
• Polarizability: 14.085009 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 106 °C(lit.)
• Flash Point: 32 °C; 89.6 °F
• Density: 0.783 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.411(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 11-38
• Safety Statements: 16-26-36
• 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

Product Information

• Purity: 98%
• Linear Formula: C2H5C(CH3)2OCH=CH2