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2-Methyl-1-Phenyl-2-Propanol
CAS: 100-86-7 | C10H14O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
100-86-7
Molecular Formula:
C10H14O
Molecular Mass:
150.22 g/mol
Names and Synonyms:
2-Methyl-1-Phenyl-2-Propanol
Benzeneethanol, α,α-dimethyl-
Phenethyl alcohol, α,α-dimethyl-
α,α-Dimethylbenzeneethanol
Dimethylbenzylcarbinol
α,α-Dimethylphenethyl alcohol
1,1-Dimethyl-2-phenylethanol
DMBC
Benzyldimethylcarbinol
1,1-Dimethylphenylethanol
α,α-Dimethylphenethanol
2-Hydroxy-2-methyl-1-phenylpropane
2-Methyl-1-phenyl-2-propanol
1-Phenyl-2-methylpropan-2-ol
β-Phenyl-tert-butyl alcohol
2-Benzyl-2-propanol
1-Benzyl-1-methylethanol
2-Methyl-3-phenyl-2-propanol
Phenyl-tert-butanol
1,1-Dimethyl-2-phenylethyl alcohol
NSC 27228
NSC 46103
NSC 5236
1-Phenyl-2-hydroxy-2-methylpropane
2-Hydroxy-2-methyl-1-phenyl-1-propane
Identifiers:
SMILES:
CC(C)(O)Cc1ccccc1
InChI:
InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
Key Properties
Boiling Point
215 °C
CAS Common Chemistry
Melting Point
24 °C
CAS Common Chemistry
Density
0.90 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 | 150.22 g/mol | CAS Common Chemistry |
| 150.221 g/mol | RDKit | |
| 150.104465068 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.903 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 215 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)(C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RIWRBSMFKVOJMN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24 °C | CAS Common Chemistry |
| Name | 2-Methyl-1-phenyl-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.0 | RDKit |
| Molar Refractivity | 46.44380000000004 | RDKit |
