2-({2,2-bis[(oxiran-2-ylmethoxy)methyl]butoxy}methyl)oxirane

• ChemBase ID: 151031
• Molecular Formular: C15H26O6
• Molecular Mass: 302.36334
• Monoisotopic Mass: 302.17293855
• SMILES: CCC(COCC1CO1)(COCC1CO1)COCC1CO1
• Canonical SMILES: CCC(COCC1CO1)(COCC1CO1)COCC1CO1
• InChI: InChI=1S/C15H26O6/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14/h12-14H,2-11H2,1H3
• InChIKey: QECCQGLIYMMHCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2,2-bis[(oxiran-2-ylmethoxy)methyl]butoxy}methyl)oxirane
• IUPAC Traditional name: 2-({2,2-bis[(oxiran-2-ylmethoxy)methyl]butoxy}methyl)oxirane
• Synonyms: Trimethylolpropane triglycidyl ether; 三羟甲基丙烷三缩水甘油基醚

Database IDs

• CAS Number: 3454-29-3
• EC Number: 222-384-0
• MDL Number: MFCD00274208
• PubChem SID: 24866916; 162245190
• PubChem CID: 103015

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.43993267
• LogD (pH = 7.4): 0.43993267
• Log P: 0.43993267
• Molar Refractivity: 75.0417 cm^3
• Polarizability: 30.416552 Å^3
• Polar Surface Area: 65.28 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.157 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.477(lit.)
• Viscosity: 120-180 cP(25 °C, Ubbelohde)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-41-43
• Safety Statements: 26-36/37
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H334-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Grade: technical grade
• Impurities: ≤10 ppm free epichlorohydrin
• Equivalent Weight: 138-154 (perchloric acid method)
• Empirical Formula (Hill Notation): C15H26O6

DETAILS

Sigma Aldrich - 430269

Packaging
1 L in poly bottle
250 mL in poly bottle
Application
Additive in fast-setting adhesives, low temperature curing coatings and hard, abrasion resistant castings and decoupage systems.
Features and Benefits
Reduces viscosity but retains high epoxide level, imparts hardness and toughness to epoxide polymers. Improves solubility/compatibility characteristics of highly aromatic epoxy systems.