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Sodium Ethyl P-Hydroxybenzoate
CAS: 35285-68-8 | C9H10NaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35285-68-8
Molecular Formula:
C9H10NaO3
Molecular Mass:
189.17 g/mol
Names and Synonyms:
Sodium Ethyl P-Hydroxybenzoate
Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt (1:1)
Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt
Benzoic acid, p-hydroxy-, ethyl ester, sodium deriv.
Sodium ethyl p-hydroxybenzoate
Sodium p-(carbethoxy)phenoxide
Ethyl p-hydroxybenzoate sodium salt
Ethyl 4-hydroxybenzoate sodium salt
4-Hydroxybenzoic acid ethyl ester sodium salt
E 215
Sodium ethylparaben
Sodium ethyl parahydroxybenzoate
Ethyl paraben sodium salt
Identifiers:
SMILES:
CCOC(=O)c1ccc(O)cc1.[Na]
InChI:
InChI=1S/C9H10O3.Na/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;
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 | 189.17 g/mol | CAS Common Chemistry |
| 189.166 g/mol | RDKit | |
| 189.05276346 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(OCC)C1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O3.Na/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=HLEKLAHSVAPCPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium ethyl p-hydroxybenzoate | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.1881 | RDKit |
| Molar Refractivity | 49.817300000000024 | RDKit |
