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EX 141
CAS: 122-60-1 | C9H10O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
122-60-1
Molecular Formula:
C9H10O2
Molecular Weight:
150.177 g/mol
Names and Synonyms:
EX 141
Synonym
Phenyl Glycidyl Ether
Synonym
(Phenoxymethyl)oxirane
Synonym
2,3-Epoxy-1-phenoxypropane
Synonym
2,3-Epoxypropoxybenzene
Synonym
3-Phenoxy-1-propene oxide
Synonym
Oxiranylmethyl phenyl ether
Synonym
3-Phenoxypropylene oxide
Synonym
(±)-Phenyl glycidyl ether
Synonym
(±)-1,2-Epoxy-3-phenoxypropane
Synonym
(±)-(Phenoxymethyl)oxirane
Synonym
(±)-Glycidyl phenyl ether
Synonym
Denacol EX 141
Synonym
Heloxy 63
Synonym
Heloxy Modifier 63
Synonym
NSC 53476
Synonym
NSC 635
Synonym
PGE-H
Synonym
Epoxy 690
Synonym
(Phenyloxymethyl)oxirane
Synonym
Epiol P
Synonym
K 103
Synonym
YS 690
Synonym
JX 016
Synonym
O-Phenylglycidol
Synonym
3-(Phenoxy)propylene epoxide
Synonym
Diluent 690
Synonym
Beihe CGE
Synonym
XY 690
Synonym
G 830179
Synonym
Oxirane, 2-(phenoxymethyl)-
Synonym
Propane, 1,2-epoxy-3-phenoxy-
Synonym
Oxirane, (phenoxymethyl)-
Synonym
2-(Phenoxymethyl)oxirane
Synonym
1,2-Epoxy-3-phenoxypropane
Synonym
Glycidyl phenyl ether
Synonym
Phenol glycidyl ether
Synonym
Phenyl 2,3-epoxypropyl ether
Synonym
Phenyl glycidyl ether
Synonym
3-Phenoxy-1,2-epoxypropane
Synonym
3-Phenoxy-1,2-propylene oxide
Synonym
γ-Phenoxypropylene oxide
Synonym
1-Phenoxy-2,3-epoxypropane
Synonym
2,3-Epoxypropyl phenyl ether
Synonym
Glycidol phenyl ether
Synonym
3-(Phenyloxy)-1,2-epoxypropane
Synonym
Identifiers:
SMILES:
c1ccc(OCC2CO2)cc1
InChI:
InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 150.18 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phenyl_glycidyl_ether None | Legacy Database |
| cas-boiling-point | 245 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O(C=1C=CC=CC1)CC2OC2 None | Legacy Database |
| cas-density | 1.1092 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=FQYUMYWMJTYZTK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 3.5 °C None | Legacy Database |
| cas-name | Phenyl glycidyl ether None | Legacy Database |
| wikipedia-name | Phenyl glycidyl ether None | Legacy Database |
| LogP | 1.4641999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 150.177 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 150.06807956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.67700000000003 | RDKit |