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Α1,Α1,Α4,Α4-Tetramethyl-1,4-Benzenedimethanol
CAS: 2948-46-1 | C12H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2948-46-1
Molecular Formula:
C12H18O2
Molecular Mass:
194.27 g/mol
Names and Synonyms:
Α1,Α1,Α4,Α4-Tetramethyl-1,4-Benzenedimethanol
1,4-Benzenedimethanol, α1,α1,α4,α4-tetramethyl-
p-Xylene-α,α′-diol, α,α,α′,α′-tetramethyl-
1,4-Benzenedimethanol, α,α,α′,α′-tetramethyl-
α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol
α,α′-Dihydroxy-p-diisopropylbenzene
α,α,α′,α′-Tetramethyl-p-xylylenediol
p-Bis(2-hydroxyisopropyl)benzene
1,4-Bis(2-hydroxy-2-propyl)benzene
α,α,α′,α′-Tetramethyl-p-benzenedimethanol
p-Bis(α-hydroxyisopropyl)benzene
Dicumyl alcohol
1,4-Bis(1-hydroxy-1-methylethyl)benzene
1,4-Di(2-hydroxy-2-propyl)benzene
1,4-Bis(α-hydroxyisopropyl)benzene
1,4-Bis(2-propanol)benzene
α,α,α′,α′-Tetramethyl-1,4-benzenedimethanol
1,4-Bis(1-methyl-1-hydroxyethyl)benzene
2-[4-(2-Hydroxypropan-2-yl)phenyl]propan-2-ol
Identifiers:
SMILES:
CC(C)(O)c1ccc(C(C)(C)O)cc1
InChI:
InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3
Key Properties
Melting Point
141-142 °C
CAS Common Chemistry
Density
1.10 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 | 194.27 g/mol | CAS Common Chemistry |
| 194.274 g/mol | RDKit | |
| 194.130679816 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | OC(C1=CC=C(C=C1)C(O)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LEARFTRDZQQTDN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141-142 °C | CAS Common Chemistry |
| Name | α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 2.1414 | RDKit |
| Molar Refractivity | 56.931600000000046 | RDKit |
