Back to Search
M-Cresol
CAS: 108-39-4 | C7H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-39-4
Molecular Formula:
C7H8O
Molecular Mass:
108.14 g/mol
Names and Synonyms:
M-Cresol
Phenol, 3-methyl-
m-Cresol
3-Methylphenol
m-Cresylic acid
m-Kresol
m-Oxytoluene
1-Hydroxy-3-methylbenzene
3-Cresol
3-Hydroxytoluene
m-Toluol
m-Methylphenol
m-Hydroxytoluene
meta-Cresol
NSC 8768
Identifiers:
SMILES:
Cc1cccc(O)c1
InChI:
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
Key Properties
Boiling Point
202 °C
CAS Common Chemistry
Melting Point
11-12 °C
CAS Common Chemistry
Density
1.03 g/cm³
CAS Common Chemistry
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 | 108.14 g/mol | CAS Common Chemistry |
| 108.13999999999999 g/mol | RDKit | |
| 108.057514876 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.034 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/M-Cresol | CAS Common Chemistry |
| Boiling Point | 202 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RLSSMJSEOOYNOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 11-12 °C | CAS Common Chemistry |
| Name | m-Cresol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.7006199999999998 | RDKit |
| Molar Refractivity | 32.843799999999995 | RDKit |
