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Molecule
Α1,Α1,Α4,Α4-Tetramethyl-1,4-Benzenedimethanol
CAS: 2948-46-1 · C12H18O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2948-46-1
- Molecular Formula
- C12H18O2
- Molecular Mass
- 194.27 g/mol
Identifiers
CAS Registry Number
2948-46-1
SMILES
CC(C)(O)c1ccc(C(C)(C)O)cc1
InChI Key
LEARFTRDZQQTDN-UHFFFAOYSA-N
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
Names and Synonyms
- Α1,Α1,Α4,Α4-Tetramethyl-1,4-Benzenedimethanol Synonym
- 1,4-Benzenedimethanol, α1,α1,α4,α4-tetramethyl- Synonym
- p-Xylene-α,α′-diol, α,α,α′,α′-tetramethyl- Synonym
- 1,4-Benzenedimethanol, α,α,α′,α′-tetramethyl- Synonym
- α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol Synonym
- α,α′-Dihydroxy-p-diisopropylbenzene Synonym
- α,α,α′,α′-Tetramethyl-p-xylylenediol Synonym
- p-Bis(2-hydroxyisopropyl)benzene Synonym
- 1,4-Bis(2-hydroxy-2-propyl)benzene Synonym
- α,α,α′,α′-Tetramethyl-p-benzenedimethanol Synonym
- p-Bis(α-hydroxyisopropyl)benzene Synonym
- Dicumyl alcohol Synonym
- 1,4-Bis(1-hydroxy-1-methylethyl)benzene Synonym
- 1,4-Di(2-hydroxy-2-propyl)benzene Synonym
- 1,4-Bis(α-hydroxyisopropyl)benzene Synonym
- 1,4-Bis(2-propanol)benzene Synonym
- α,α,α′,α′-Tetramethyl-1,4-benzenedimethanol Synonym
- 1,4-Bis(1-methyl-1-hydroxyethyl)benzene Synonym
- 2-[4-(2-Hydroxypropan-2-yl)phenyl]propan-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.27 g/mol | CAS Common Chemistry |
| 194.274 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 194.130679816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 194.27 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H18O2.
