1,4-bis[4-(ethenyloxy)butyl] butanedioate

• ChemBase ID: 138044
• Molecular Formular: C16H26O6
• Molecular Mass: 314.37404
• Monoisotopic Mass: 314.17293855
• SMILES: C=COCCCCOC(=O)CCC(=O)OCCCCOC=C
• Canonical SMILES: C=COCCCCOC(=O)CCC(=O)OCCCCOC=C
• InChI: InChI=1S/C16H26O6/c1-3-19-11-5-7-13-21-15(17)9-10-16(18)22-14-8-6-12-20-4-2/h3-4H,1-2,5-14H2
• InChIKey: XUEAJYHEEJKSLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis[4-(ethenyloxy)butyl] butanedioate
• IUPAC Traditional name: 1,4-bis[4-(ethenyloxy)butyl] butanedioate
• Synonyms: VEctomer® 4030 vinyl ether; Bis[4-(vinyloxy)butyl] succinate; VEctomer® 4030 乙烯醚; 二[4-(乙烯氧基)丁基]琥珀酸酯

Database IDs

• CAS Number: 135876-32-3
• MDL Number: MFCD01863595
• PubChem SID: 162232303; 24873059
• PubChem CID: 3248128

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9633478
• LogD (pH = 7.4): 1.9633478
• Log P: 1.9633478
• Molar Refractivity: 81.5666 cm^3
• Polarizability: 32.673077 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >113 °C; >235.4 °F
• Density: 1.06 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.461(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: [-CH2CO2(CH2)4OCH=CH2]2

DETAILS

Sigma Aldrich - 496480

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