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Molecule
Phenyl Salicylate
CAS: 118-55-8 · C13H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 118-55-8
- Molecular Formula
- C13H10O3
- Molecular Mass
- 214.22 g/mol
Identifiers
CAS Registry Number
118-55-8
SMILES
O=C(Oc1ccccc1)c1ccccc1O
InChI Key
ZQBAKBUEJOMQEX-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
Names and Synonyms
- Phenyl Salicylate Synonym
- Benzoic acid, 2-hydroxy-, phenyl ester Synonym
- Salicylic acid, phenyl ester Synonym
- Phenol salicylate Synonym
- Phenyl salicylate Synonym
- Salol Synonym
- Phenyl 2-hydroxybenzoate Synonym
- Salphenyl Synonym
- 2-Phenoxycarbonylphenol Synonym
- Seesorb 201 Synonym
- Seesorb K 201 Synonym
- NSC 33406 Synonym
- Phenyl o-hydroxybenzoate Synonym
- YC 136 Synonym
- 2-Hydroxy-benzoic acid phenyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.22 g/mol | CAS Common Chemistry |
| 214.21999999999997 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.25 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenyl_salicylate | CAS Common Chemistry |
| Boiling Point | 173 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1C=CC=CC1)C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H | CAS Common Chemistry |
| InChI Key | InChIKey=ZQBAKBUEJOMQEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130.5 °C | CAS Common Chemistry |
| Name | Phenyl salicylate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.611400000000001 | RDKit |
| 2.6114 | RDKit | |
| Molar Refractivity | 59.50730000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 214.06299418 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
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Quick conversion
MW = 214.22 g/mol; density = 1.250 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10O3.
