2-[3-(oxiran-2-ylmethoxy)phenoxymethyl]oxirane

• ChemBase ID: 147258
• Molecular Formular: C12H14O4
• Molecular Mass: 222.23716
• Monoisotopic Mass: 222.08920893
• SMILES: c1cc(cc(c1)OCC1CO1)OCC1CO1
• Canonical SMILES: O1CC1COc1cccc(c1)OCC1OC1
• InChI: InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
• InChIKey: WPYCRFCQABTEKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(oxiran-2-ylmethoxy)phenoxymethyl]oxirane
• IUPAC Traditional name: 2-[3-(oxiran-2-ylmethoxy)phenoxymethyl]oxirane
• Synonyms: Resorcinol diglycidyl ether; 1,3-Bis(glycidyloxy)benzene; 间苯二酚二缩水甘油醚

Database IDs

• CAS Number: 101-90-6
• EC Number: 202-987-5
• MDL Number: MFCD00078378
• Beilstein Number: 203671
• PubChem SID: 24870691; 162241448
• PubChem CID: 7586

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3404366
• LogD (pH = 7.4): 1.3404366
• Log P: 1.3404366
• Molar Refractivity: 56.4738 cm^3
• Polarizability: 22.685204 Å^3
• Polar Surface Area: 43.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: insoluble
• Melting Point: 33-35°C
• Boiling Point: 172 °C(lit.); 172°C/0.8mm
• Flash Point: 113 °C; 177°C(350°F); 235.4 °F
• Density: 1.21 g/mL at 25 °C(lit.); 1.210
• Refractive Index: n20/D 1.542(lit.)
• Viscosity: 300-500 cP

Safety Information

• RTECS: VH1050000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 21/22-36/38-40-43-52/53-68; 21/22-36/38-40-43-68-52/53
• Safety Statements: 23-36/37-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H317-H319-H341-H351-H412; H341-H351-H302-H312-H315-H319-H317-H402-H412
• GHS Precautionary statements: P260-P280H-P273; P273-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: 94%
• Equivalent Weight: 120-135 Epoxide
• Empirical Formula (Hill Notation): C12H14O4

DETAILS

Sigma Aldrich - 470945

Packaging
100, 500 mL in poly bottle
Application
Reactive diluent and modifier in epoxy resins used in coatings, potting and tooling compounds, adhesives and composites.