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Molecule
P-Tert-Butylphenyl Glycidyl Ether
CAS: 3101-60-8 · C13H18O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3101-60-8
- Molecular Formula
- C13H18O2
- Molecular Mass
- 206.28 g/mol
Identifiers
CAS Registry Number
3101-60-8
SMILES
CC(C)(C)c1ccc(OCC2CO2)cc1
InChI Key
HHRACYLRBOUBKM-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3
Names and Synonyms
- P-Tert-Butylphenyl Glycidyl Ether Synonym
- Oxirane, 2-[[4-(1,1-dimethylethyl)phenoxy]methyl]- Synonym
- Propane, 1-(p-tert-butylphenoxy)-2,3-epoxy- Synonym
- Oxirane, [[4-(1,1-dimethylethyl)phenoxy]methyl]- Synonym
- 2-[[4-(1,1-Dimethylethyl)phenoxy]methyl]oxirane Synonym
- p-tert-Butylphenol glycidyl ether Synonym
- 3-(4-tert-Butylphenoxy)-1,2-epoxypropane Synonym
- p-tert-Butylphenyl glycidyl ether Synonym
- 1-(p-tert-Butylphenoxy)-2,3-epoxypropane Synonym
- R 1007 Synonym
- Glycidyl p-tert-butylphenyl ether Synonym
- 4-tert-Butylphenyl glycidyl ether Synonym
- Denacol EX 146 Synonym
- Epiclon 520 Synonym
- Glycidyl 4-tert-butylphenyl ether Synonym
- Heloxy WC 65 Synonym
- (4-tert-Butylphenoxy)methyloxirane Synonym
- Heloxy 65 Synonym
- ED 509 Synonym
- Adeka ED 509 Synonym
- Epiol TB Synonym
- Araldite DY-P Synonym
- EX 146 Synonym
- Adeka Resin ED 509 Synonym
- Adeka Glycilol ED 509 Synonym
- Adeka Glycilol ED 509E Synonym
- Polypox R 7 Synonym
- Adeka Glycilol ED 509S Synonym
- EP 509S Synonym
- ED 509S Synonym
- 2-[(4-tert-Butylphenoxy)methyl]oxirane Synonym
- Erisys GE 11 Synonym
- SE 580 Synonym
- DY-P-US Synonym
- 4-tert-Butylphenol glycidyl ether Synonym
- ED 509E Synonym
- Heloxy Modifier 65 Synonym
- XY 693 Synonym
- TGE-H Synonym
- JX 012 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.28 g/mol | CAS Common Chemistry |
| 206.28499999999997 g/mol | RDKit | |
| 206.285 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O(C1=CC=C(C=C1)C(C)(C)C)CC2OC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HHRACYLRBOUBKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | p-tert-Butylphenyl glycidyl ether | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| 21.76 Ų | RDKit | |
| LogP | 2.761700000000001 | RDKit |
| 2.7617 | RDKit | |
| Molar Refractivity | 60.377000000000045 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 206.130679816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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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.
External Resources
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MW = 206.28 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H18O2.
