1,3-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) benzene-1,3-dicarboxylate

• ChemBase ID: 138115
• Molecular Formular: C28H38O6
• Molecular Mass: 470.59772
• Monoisotopic Mass: 470.26683894
• SMILES: C=COCC1CCC(CC1)COC(=O)c1cccc(c1)C(=O)OCC1CCC(CC1)COC=C
• Canonical SMILES: C=COCC1CCC(CC1)COC(=O)c1cccc(c1)C(=O)OCC1CCC(CC1)COC=C
• InChI: InChI=1S/C28H38O6/c1-3-31-17-21-8-12-23(13-9-21)19-33-27(29)25-6-5-7-26(16-25)28(30)34-20-24-14-10-22(11-15-24)18-32-4-2/h3-7,16,21-24H,1-2,8-15,17-20H2
• InChIKey: AEIRDZABQGATLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) benzene-1,3-dicarboxylate
• IUPAC Traditional name: 1,3-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) benzene-1,3-dicarboxylate
• Synonyms: VEctomer® 4040 vinyl ether; Bis[[4-[(vinyloxy)methyl]cyclohexyl]methyl] isophthalate; VEctomer® 4040 乙烯醚; 二[[4-[(乙烯基氧基)甲基]环己基]甲基]间苯二甲酸酯

Database IDs

• CAS Number: 119581-93-0
• MDL Number: MFCD01863729
• PubChem SID: 162232373; 24873776
• PubChem CID: 4416264

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.3609567
• LogD (pH = 7.4): 6.3609567
• Log P: 6.3609567
• Molar Refractivity: 131.286 cm^3
• Polarizability: 51.760532 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 134 °C; 273.2 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 43
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 90%
• Linear Formula: C6H4-1,3-[CO2CH2C6H10CH2OCH=CH2]2

DETAILS

Sigma Aldrich - 514853

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