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4-Methylsyringol
CAS: 6638-05-7 | C9H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6638-05-7
Molecular Formula:
C9H12O3
Molecular Mass:
168.19 g/mol
Names and Synonyms:
4-Methylsyringol
Phenol, 2,6-dimethoxy-4-methyl-
p-Cresol, 2,6-dimethoxy-
2,6-Dimethoxy-4-methylphenol
4-Hydroxy-3,5-dimethoxytoluene
4-Methyl-2,6-dimethoxyphenol
4-Methylsyringol
Methylsyringol
2,6-Dimethoxy-p-cresol
3,5-Dimethoxy-4-hydroxytoluene
1-Methyl-3,5-dimethoxy-4-hydroxybenzene
2,6-Dimethoxy-4-cresol
NSC 47901
Identifiers:
SMILES:
COc1cc(C)cc(OC)c1O
InChI:
InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
Key Properties
Boiling Point
<100 °C @ Press: 0.2 Torr
CAS Common Chemistry
Melting Point
41 °C
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 | 168.19 g/mol | CAS Common Chemistry |
| 168.19199999999998 g/mol | RDKit | |
| 168.078644244 g/mol | RDKit | |
| Boiling Point | <100 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=C(OC)C=C(C=C1OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZFBNNSOJNZBLLS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 41 °C | CAS Common Chemistry |
| Name | 4-Methylsyringol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 1.7178199999999997 | RDKit |
| Molar Refractivity | 45.94780000000003 | RDKit |
