1,4-bis[4-(ethenyloxy)butyl] benzene-1,4-dicarboxylate

• ChemBase ID: 138045
• Molecular Formular: C20H26O6
• Molecular Mass: 362.41684
• Monoisotopic Mass: 362.17293855
• SMILES: C=COCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCOC=C
• Canonical SMILES: C=COCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCOC=C
• InChI: InChI=1S/C20H26O6/c1-3-23-13-5-7-15-25-19(21)17-9-11-18(12-10-17)20(22)26-16-8-6-14-24-4-2/h3-4,9-12H,1-2,5-8,13-16H2
• InChIKey: HMNFSPVCKZFHGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis[4-(ethenyloxy)butyl] benzene-1,4-dicarboxylate
• IUPAC Traditional name: 1,4-bis[4-(ethenyloxy)butyl] benzene-1,4-dicarboxylate
• Synonyms: VEctomer® 4050; Bis[4-(vinyloxy)butyl]terephthalate; 二[4-(乙烯氧基)丁基]对苯二甲酸酯

Database IDs

• CAS Number: 117397-31-6
• MDL Number: MFCD02093674
• PubChem SID: 24873777; 162232304
• PubChem CID: 3451971

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0502424
• LogD (pH = 7.4): 4.0502424
• Log P: 4.0502424
• Molar Refractivity: 98.6 cm^3
• Polarizability: 38.498684 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44-46 °C(lit.)
• Flash Point: 138 °C; 280 °F

Safety Information

• German water hazard class: -
• Safety Statements: 36

Product Information

• Purity: 97%
• Linear Formula: C6H4-1,4-[CO2(CH2)4OCH=CH2]2

DETAILS

Sigma Aldrich - 514861

Legal Information
Product of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.