1,4-bis(ethenyloxy)butane

• ChemBase ID: 148456
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C=COCCCCOC=C
• Canonical SMILES: C=COCCCCOC=C
• InChI: InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2
• InChIKey: MWZJGRDWJVHRDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(ethenyloxy)butane
• IUPAC Traditional name: 1,4-bis(ethenyloxy)butane
• Synonyms: 1,4-Butanediol divinyl ether; 1,4-丁二醇二乙烯基醚

Database IDs

• CAS Number: 3891-33-6
• EC Number: 223-437-0
• MDL Number: MFCD00026065
• PubChem SID: 162242631; 24847558
• PubChem CID: 77501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6642451
• LogD (pH = 7.4): 1.6642451
• Log P: 1.6642451
• Molar Refractivity: 40.9504 cm^3
• Polarizability: 16.365255 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -8 °C(lit.)
• Boiling Point: 62-64 °C/10 mmHg(lit.)
• Flash Point: 145.4 °F; 63 °C
• Density: 0.898 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.444(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (-CH2CH2OCH=CH2)2

DETAILS

Sigma Aldrich - 123315

Packaging
50 mL in poly bottle