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Molecule
Methyl Salicylate
CAS: 119-36-8 · C8H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 119-36-8
- Molecular Formula
- C8H8O3
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
119-36-8
SMILES
COC(=O)c1ccccc1O
InChI Key
OSWPMRLSEDHDFF-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
Names and Synonyms
- Methyl Salicylate Common Name
- Benzoic acid, 2-hydroxy-, methyl ester Synonym
- Salicylic acid, methyl ester Synonym
- Methyl o-hydroxybenzoate Synonym
- Methyl salicylate Synonym
- Methyl 2-hydroxybenzoate Synonym
- o-Hydroxybenzoic acid methyl ester Synonym
- 2-Hydroxybenzoic acid methyl ester Synonym
- Analgit Synonym
- Exagien Synonym
- Flucarmit Synonym
- 2-(Methoxycarbonyl)phenol Synonym
- Anthrapole ND Synonym
- Wintergreen oil Synonym
- 2-Carbomethoxyphenol Synonym
- NSC 8204 Synonym
- Ben Gay Synonym
- Methyl ester of 2-hydroxy benzoic acid Synonym
- Methyl ester 2-hydroxy benzoic acid Synonym
- PredaLure Synonym
- Holly oil Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| 152.14899999999997 g/mol | RDKit | |
| 152.149 g/mol | RDKit | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.184 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_salicylate | CAS Common Chemistry |
| Boiling Point | 220-224 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C=1C=CC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -8.6 °C | CAS Common Chemistry |
| Name | Methyl salicylate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 1.1787999999999998 | RDKit |
| 1.1788 | RDKit | |
| Molar Refractivity | 39.446300000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 152.047344116 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 = 152.15 g/mol; density = 1.180 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8O3.
