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Molecule
2-Hydroxy-4-Methylbenzaldehyde
CAS: 698-27-1 · C8H8O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 698-27-1
- Molecular Formula
- C8H8O2
- Molecular Mass
- 136.15 g/mol
Identifiers
CAS Registry Number
698-27-1
SMILES
Cc1ccc(C=O)c(O)c1
InChI Key
JODRRPJMQDFCBJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
Names and Synonyms
- 2-Hydroxy-4-Methylbenzaldehyde Systematic Name
- Benzaldehyde, 2-hydroxy-4-methyl- Synonym
- 2,4-Cresotaldehyde Synonym
- 2-Hydroxy-4-methylbenzaldehyde Synonym
- m-Homosalicylaldehyde Synonym
- 4-Methylsalicylaldehyde Synonym
- 2-Formyl-5-methylphenol Synonym
- 4-Methyl-2-hydroxybenzaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.15 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Hydroxy-4-methylbenzaldehyde | CAS Common Chemistry |
| Boiling Point | 223 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=C(C=C1O)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JODRRPJMQDFCBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60.5 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-4-methylbenzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.5131199999999998 | RDKit |
| 1.5131 | RDKit | |
| Molar Refractivity | 38.23130000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 136.052429496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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MW = 136.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8O2.
