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Molecule
Diglycidyl Resorcinol Ether
CAS: 101-90-6 · C12H14O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101-90-6
- Molecular Formula
- C12H14O4
- Molecular Mass
- 222.24 g/mol
Identifiers
CAS Registry Number
101-90-6
SMILES
c1cc(OCC2CO2)cc(OCC2CO2)c1
InChI Key
WPYCRFCQABTEKC-UHFFFAOYSA-N
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
Names and Synonyms
- Diglycidyl Resorcinol Ether Common Name
- Oxirane, 2,2′-[1,3-phenylenebis(oxymethylene)]bis- Synonym
- Benzene, m-bis(2,3-epoxypropoxy)- Synonym
- 2,2′-[1,3-Phenylenebis(oxymethylene)]bis[oxirane] Synonym
- m-Bis(2,3-epoxypropoxy)benzene Synonym
- Resorcinol diglycidyl ether Synonym
- Diglycidyl resorcinol ether Synonym
- Resorcinol glycidyl ether Synonym
- Resorcinol bis(2,3-epoxypropyl) ether Synonym
- 1,3-Bis(2,3-epoxypropoxy)benzene Synonym
- m-Bis(glycidyloxy)benzene Synonym
- NSC 76621 Synonym
- 1,3-Diglycidyloxybenzene Synonym
- 1,3-Dihydroxybenzene diglycidyl ether Synonym
- 2-[3-(Oxiran-2-ylmethoxy)phenoxymethyl]oxirane Synonym
- 2-[[3-(Oxiran-2-ylmethoxy)phenoxy]methyl]oxirane Synonym
- KMC 694 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.24 g/mol | CAS Common Chemistry |
| 222.23999999999995 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.21 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diglycidyl_resorcinol_ether | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=CC(OCC2OC2)=C1)CC3OC3 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=WPYCRFCQABTEKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 32-33 °C | CAS Common Chemistry |
| Name | Resorcinol diglycidyl ether | CAS Common Chemistry |
| Diglycidyl resorcinol ether | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.519999999999996 Ų | RDKit |
| 43.52 Ų | RDKit | |
| LogP | 1.2417999999999998 | RDKit |
| 1.2418 | RDKit | |
| Molar Refractivity | 56.91200000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 222.089208928 g/mol | RDKit |
| Boiling Point | 172 °C @ 0.8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 222.24 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H14O4.
