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Ethylparaben
CAS: 120-47-8 | C9H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-47-8
Molecular Formula:
C9H10O3
Molecular Mass:
166.18 g/mol
Names and Synonyms:
Ethylparaben
Nipazin A
Benzoic acid, 4-hydroxy-, ethyl ester
Benzoic acid, p-hydroxy-, ethyl ester
Aseptoform E
Bonomold OE
p-Carbethoxyphenol
Easeptol
Ethyl p-hydroxybenzoate
Ethyl parasept
p-Hydroxybenzoic acid ethyl ester
Nipagin A
Solbrol A
Tegosept E
Ethylparaben
Ethyl 4-hydroxybenzoate
4-Hydroxybenzoic acid ethyl ester
p-(Ethoxycarbonyl)phenol
Napagin A
Sobrol A
Ethyl Butex
Mycocten
p-Hydroxybenzoate ethyl ester
4-(Ethoxycarbonyl)phenol
4-Carbethoxyphenol
Aseptine A
Aseptin A
Mekkings E
Ethyl nipagin
NSC 23514
NSC 8510
E 214
4-Hydroxybenzoic ethyl ester
Ethyl parahydroxybenzoate
Ethyparaben
Identifiers:
SMILES:
CCOC(=O)c1ccc(O)cc1
InChI:
InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
Key Properties
Boiling Point
297.5 °C
CAS Common Chemistry
Melting Point
116 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.18 g/mol | CAS Common Chemistry |
| 166.176 g/mol | RDKit | |
| 166.06299418 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylparaben | CAS Common Chemistry |
| Boiling Point | 297.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NUVBSKCKDOMJSU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116 °C | CAS Common Chemistry |
| Name | Ethylparaben | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 1.5689 | RDKit |
| Molar Refractivity | 44.06330000000003 | RDKit |
