1,2,4-tris[4-(ethenyloxy)butyl] benzene-1,2,4-tricarboxylate

• ChemBase ID: 138025
• Molecular Formular: C27H36O9
• Molecular Mass: 504.56934
• Monoisotopic Mass: 504.23593273
• SMILES: C=COCCCCOC(=O)c1ccc(c(c1)C(=O)OCCCCOC=C)C(=O)OCCCCOC=C
• Canonical SMILES: C=COCCCCOC(=O)c1cc(ccc1C(=O)OCCCCOC=C)C(=O)OCCCCOC=C
• InChI: InChI=1S/C27H36O9/c1-4-31-15-7-10-18-34-25(28)22-13-14-23(26(29)35-19-11-8-16-32-5-2)24(21-22)27(30)36-20-12-9-17-33-6-3/h4-6,13-14,21H,1-3,7-12,15-20H2
• InChIKey: XOTMHFNWERTCLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4-tris[4-(ethenyloxy)butyl] benzene-1,2,4-tricarboxylate
• IUPAC Traditional name: 1,2,4-tris[4-(ethenyloxy)butyl] benzene-1,2,4-tricarboxylate
• Synonyms: Tris[4-(vinyloxy)butyl]-1,2,4-benzenetricarboxylate; VEctomer® 5015 vinyl ether; Tris[4-(vinyloxy)butyl] trimellitate; VEctomer® 5015 乙烯醚; 三[4-(乙烯氧基)丁基]-1,2,4-苯三羧酸酯; 三[4-(乙烯醚)丁基]三苯六甲酸酯

Database IDs

• CAS Number: 196109-17-8
• MDL Number: MFCD01863597
• PubChem SID: 162232284; 24873061
• PubChem CID: 4432412

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.088741
• LogD (pH = 7.4): 5.088741
• Log P: 5.088741
• Molar Refractivity: 134.871 cm^3
• Polarizability: 52.611393 Å^3
• Polar Surface Area: 106.59 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.12 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.51(lit.)

Safety Information

• German water hazard class: 3
• Risk Statements: 42
• Safety Statements: 23-24/25-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317
• GHS Precautionary statements: P280
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Linear Formula: C6H3[CO2(CH2)4OCH=CH2]3

DETAILS

Sigma Aldrich - 496502

Packaging
250 mL in glass bottle
Legal Information
Product of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.