Back to Search
3-Methyl-4-Isopropylphenol
CAS: 3228-02-2 | C10H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3228-02-2
Molecular Formula:
C10H14O
Molecular Mass:
150.22 g/mol
Names and Synonyms:
3-Methyl-4-Isopropylphenol
Phenol, 3-methyl-4-(1-methylethyl)-
o-Cymen-5-ol
m-Cresol, 4-isopropyl-
3-Methyl-4-(1-methylethyl)phenol
p-Thymol
Biosol
4-Isopropyl-m-cresol
3-Methyl-4-isopropylphenol
4-Isopropyl-3-methylphenol
4-Isopropyl-5-methylphenol
1-Hydroxy-3-methyl-4-isopropylbenzene
Frecide
Biosol (antibacterial)
NSC 62111
5-Methyl-4-isopropylphenol
3-Methyl-4-(propan-2-yl)phenol
Isopropylmethylphenol
IPMP
Identifiers:
SMILES:
Cc1cc(O)ccc1C(C)C
InChI:
InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
Key Properties
Boiling Point
238 °C
CAS Common Chemistry
Melting Point
114 °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 | 150.22 g/mol | CAS Common Chemistry |
| 150.22099999999998 g/mol | RDKit | |
| 150.104465068 g/mol | RDKit | |
| Boiling Point | 238 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C(=C1)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IJALWSVNUBBQRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114 °C | CAS Common Chemistry |
| Name | 3-Methyl-4-isopropylphenol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.824020000000001 | RDKit |
| Molar Refractivity | 46.932800000000036 | RDKit |
