Back to Search
Molecule
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
Identifiers
CAS Registry Number
35285-68-8
SMILES
CCOC(=O)c1ccc(O)cc1.[Na]
InChI Key
HLEKLAHSVAPCPF-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3.Na/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;
Names and Synonyms
- Sodium Ethyl P-Hydroxybenzoate Synonym
- Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt (1:1) Synonym
- Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt Synonym
- Benzoic acid, p-hydroxy-, ethyl ester, sodium deriv. Synonym
- Sodium ethyl p-hydroxybenzoate Synonym
- Sodium p-(carbethoxy)phenoxide Synonym
- Ethyl p-hydroxybenzoate sodium salt Synonym
- Ethyl 4-hydroxybenzoate sodium salt Synonym
- 4-Hydroxybenzoic acid ethyl ester sodium salt Synonym
- E 215 Synonym
- Sodium ethylparaben Synonym
- Sodium ethyl parahydroxybenzoate Synonym
- Ethyl paraben sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.17 g/mol | CAS Common Chemistry |
| 189.166 g/mol | RDKit | |
| 190.174 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 189.05276346 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 189.17 g/mol. Edit any field — others recompute live.
