1,5-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) pentanedioate

• ChemBase ID: 135484
• Molecular Formular: C25H40O6
• Molecular Mass: 436.5815
• Monoisotopic Mass: 436.282489
• SMILES: C=COCC1CCC(CC1)COC(=O)CCCC(=O)OCC1CCC(CC1)COC=C
• Canonical SMILES: C=COCC1CCC(CC1)COC(=O)CCCC(=O)OCC1CCC(CC1)COC=C
• InChI: InChI=1S/C25H40O6/c1-3-28-16-20-8-12-22(13-9-20)18-30-24(26)6-5-7-25(27)31-19-23-14-10-21(11-15-23)17-29-4-2/h3-4,20-23H,1-2,5-19H2
• InChIKey: SDNBHBGJJPWRJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) pentanedioate
• IUPAC Traditional name: 1,5-bis({4-[(ethenyloxy)methyl]cyclohexyl}methyl) pentanedioate
• Synonyms: VEctomer® 4020 vinyl ether; Bis[4-(vinyloxymethyl)cyclohexylmethyl] glutarate; VEctomer® 4020 乙烯醚; 二[4-(乙烯氧基甲基)环己基甲基]戊二酸酯

Database IDs

• CAS Number: 131132-77-9
• MDL Number: MFCD01863594
• PubChem SID: 162229758; 24873058
• PubChem CID: 86395

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.718631
• LogD (pH = 7.4): 4.718631
• Log P: 4.718631
• Molar Refractivity: 118.8536 cm^3
• Polarizability: 47.7568 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.05 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.487(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-43
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Linear Formula: CH2[CH2CO2CH2C6H10CH2OCH=CH2]2

DETAILS

Sigma Aldrich - 496472

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