(2-butoxyethoxy)ethene

• ChemBase ID: 138805
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: CCCCOCCOC=C
• Canonical SMILES: CCCCOCCOC=C
• InChI: InChI=1S/C8H16O2/c1-3-5-6-10-8-7-9-4-2/h4H,2-3,5-8H2,1H3
• InChIKey: UNMYKPSSIFZORM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-butoxyethoxy)ethene
• IUPAC Traditional name: 1-butoxy-2-vinyloxy ethane
• Synonyms: Ethylene glycol butyl vinyl ether; 乙二醇丁基乙烯基醚

Database IDs

• CAS Number: 4223-11-4
• EC Number: 224-172-3
• MDL Number: MFCD00192148
• PubChem SID: 24865688; 162233056
• PubChem CID: 20207

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9061474
• LogD (pH = 7.4): 1.9061474
• Log P: 1.9061474
• Molar Refractivity: 41.6218 cm^3
• Polarizability: 16.60571 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-72 °C/20 mmHg(lit.)
• Flash Point: 114.8 °F; 46 °C
• Density: 0.866 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.422(lit.)

Safety Information

• RTECS: KH7175000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3271
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-41
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• 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: 99%
• Linear Formula: CH3(CH2)3OCH2CH2OCH=CH2