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Α-Methyl-4-(Trifluoromethyl)Benzenemethanol
CAS: 1737-26-4 | C9H9F3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1737-26-4
Molecular Formula:
C9H9F3O
Molecular Mass:
190.16 g/mol
Names and Synonyms:
Α-Methyl-4-(Trifluoromethyl)Benzenemethanol
Benzenemethanol, α-methyl-4-(trifluoromethyl)-
Benzyl alcohol, α-methyl-p-(trifluoromethyl)-
α-Methyl-4-(trifluoromethyl)benzenemethanol
1-(4-Trifluoromethylphenyl)ethanol
α-Methyl-p-(trifluoromethyl)benzyl alcohol
1-(1-Hydroxyethyl)-4-trifluoromethylbenzene
4-Trifluoromethyl-α-methylbenzenemethanol
1-(p-Trifluoromethylphenyl)ethanol
α-Methyl-4-trifluoromethylbenzenemethanol
(±)-1-(p-Trifluoromethylphenyl)ethanol
1-[4-(Trifluoromethyl)phenyl]ethan-1-ol
Identifiers:
SMILES:
CC(O)c1ccc(C(F)(F)F)cc1
InChI:
InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3
Key Properties
Boiling Point
116-118 °C @ Press: 20 Torr
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 |
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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 | 190.16 g/mol | CAS Common Chemistry |
| 190.164 g/mol | RDKit | |
| 190.060549568 g/mol | RDKit | |
| Boiling Point | 116-118 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C1=CC=C(C=C1)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YMXIDIAEXNLCFT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | α-Methyl-4-(trifluoromethyl)benzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.758700000000001 | RDKit |
| Molar Refractivity | 42.077800000000025 | RDKit |
