1-(ethenyloxy)-2-methylpropane

• ChemBase ID: 149194
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: CC(C)COC=C
• Canonical SMILES: C=COCC(C)C
• InChI: InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
• InChIKey: OZCMOJQQLBXBKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethenyloxy)-2-methylpropane
• IUPAC Traditional name: isobutyl vinyl ether
• Synonyms: Vinyl isobutyl ether; Isobutyl vinyl ether; 乙烯基异丁醚; 异丁基乙烯醚

Database IDs

• CAS Number: 109-53-5
• EC Number: 203-678-8
• MDL Number: MFCD00008934
• Beilstein Number: 1560159
• PubChem SID: 24856809; 162243362
• PubChem CID: 7992

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.873527
• LogD (pH = 7.4): 1.873527
• Log P: 1.873527
• Molar Refractivity: 30.4489 cm^3
• Polarizability: 12.23915 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -112 °C(lit.)
• Boiling Point: 82-83 °C(lit.)
• Flash Point: -15 °C; 5 °F
• Density: 0.768 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.395(lit.)
• Vapor Pressure: 68 mmHg ( 20 °C)
• Vapor Density: 3.45 (vs air)

Safety Information

• RTECS: KO1300000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1304
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-38
• Safety Statements: 16-23-24/25-33
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1304 3/PG 2

Product Information

• Purity: 99%
• Contains: 0.1% potassium hydroxide as stabilizer
• Linear Formula: (CH3)2CHCH2OCH=CH2

DETAILS

Sigma Aldrich - 278351

Packaging
250 mL in glass bottle