1-(ethenyloxy)butane

• ChemBase ID: 148744
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: CCCCOC=C
• Canonical SMILES: CCCCOC=C
• InChI: InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
• InChIKey: UZKWTJUDCOPSNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethenyloxy)butane
• IUPAC Traditional name: butyl vinyl ether
• Synonyms: n-Butyl vinyl ether; n-Butoxyethylene; Vinyl n-butyl ether; n-Butyl vinyl ether; (Butyloxy)ethylene; Vinyl butyl ether; Butyl vinyl ether; 正丁基乙烯基醚; 丁基乙烯基醚; 丁氧基乙烯; 乙烯基丁醚

Database IDs

• CAS Number: 111-34-2
• EC Number: 203-860-7
• MDL Number: MFCD00009454
• Beilstein Number: 1560217
• PubChem SID: 162242919; 24846976; 24846240
• PubChem CID: 8108

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9531229
• LogD (pH = 7.4): 1.9531229
• Log P: 1.9531229
• Molar Refractivity: 30.5783 cm^3
• Polarizability: 12.23915 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -113°C; -92 °C(lit.)
• Boiling Point: 92-94°C; 94 °C(lit.)
• Flash Point: 10.4 °F; -12 °C; -12°C(10°F)
• Auto Ignition Point: 437 °F
• Density: 0.774 g/mL at 25 °C(lit.); 0.778
• Refractive Index: 1.4010; n20/D 1.400(lit.); n20/D 1.401
• Vapor Pressure: 42 mmHg ( 20 °C)
• Vapor Density: 3.5 (vs air)

Safety Information

• RTECS: KN5950000; KV5950000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2352; UN3271
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-19; 11-19-36/37/38
• Safety Statements: 9-16-26-33-37-43-60; 9-16-33
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H315-H319-H335-H313
• GHS Precautionary statements: P210; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2352 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.5% (GC); 97%; 98%; 98%, stab. with 0.01% KOH
• Grade: analytical standard
• Contains: ~0.1% potassium hydroxide as stabilizer; 0.01% potassium hydroxide as stabilizer
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)3OCH=CH2

DETAILS

Sigma Aldrich - 110299

Packaging
1, 2 L in glass bottle
100, 500 mL in glass bottle