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| | 2,6-Bis(hydroxymethyl)-p-cresol Basic information |
| Product Name: | 2,6-Bis(hydroxymethyl)-p-cresol | | Synonyms: | 2,6-Dimethylol-4-methylphenol;2-hydroxy-5-methyl-3-benzenedimethanol;3-Benzenedimethanol,2-hydroxy-5-methyl-1;4-Methyl-2,6-bis(hydroxymethyl)-phenol;Adimethyl1,adimethyl3-mesityllenediol, 2-hydroxy-;alpha(sup1),alpha(sup3),2-trihydroxymesitylene;alpha(sup3)-mesitylenediol,2-hydroxy-alpha(sup1;alpha1,alpha3,2-Trihydroxymesitylene | | CAS: | 91-04-3 | | MF: | C9H12O3 | | MW: | 168.19 | | EINECS: | 202-036-4 | | Product Categories: | Organic Building Blocks;Oxygen Compounds;Polyols;Building Blocks;Chemical Synthesis;Organic Building Blocks;Aromatic Nitriles;Aromatic Phenols;Fluorenes, etc. (reagent for high-performance polymer research);Functional Materials;Reagent for High-Performance Polymer Research;Oxygen Compounds | | Mol File: | 91-04-3.mol |  |
| | 2,6-Bis(hydroxymethyl)-p-cresol Chemical Properties |
| Melting point | 128-130 °C(lit.) | | Boiling point | 237.12°C (rough estimate) | | density | 1.0812 (rough estimate) | | vapor density | 5.8 (vs air) | | refractive index | 1.4371 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | very faint turbidity in THF | | pka | 10.20±0.23(Predicted) | | form | powder to crystal | | color | White to Yellow to Orange | | BRN | 1240237 | | InChI | InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3 | | InChIKey | KUMMBDBTERQYCG-UHFFFAOYSA-N | | SMILES | C1(CO)=CC(C)=CC(CO)=C1O | | CAS DataBase Reference | 91-04-3(CAS DataBase Reference) | | NIST Chemistry Reference | A1,a3-mesityllenediol, 2-hydroxy-(91-04-3) | | EPA Substance Registry System | 1,3-Benzenedimethanol, 2-hydroxy-5-methyl- (91-04-3) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | RTECS | CZ6440000 | | Hazard Note | Irritant | | TSCA | Yes | | HS Code | 29072990 |
| | 2,6-Bis(hydroxymethyl)-p-cresol Usage And Synthesis |
| Chemical Properties | brown crystalline powder | | Uses | 2,6-Bis(hydroxymethyl)-p-cresol was used as a bridging ligand in binuclear oxovanadium(V) compound, which on exposure to white light and aerial oxygen forms an oligomeric compound. | | Preparation | The synthesis method for 2,6-Bis(hydroxymethyl)-p-cresol is as follows:
Aqueous formaldehyde (21.5 g, 37%) is added to a solution of p-cresol (10.8 g, 0.1 mol) and NaOH (5.0 g) in HO (20 mL).
The mixture is stirred at room temperature for 24 hours.
The mixture is filtered and washed with saturated aqueous NaCl (100 mL).
The resulting salt is dissolved in water (400 mL) and neutralized with acetic acid.
Pale pink crystals are obtained and filtered.
The crystals are washed with H2O and dissolved in hot ethyl acetate (40 mL).
The solution is dried over Na2SO4 and filtered while still hot.
The solution is concentrated to 27 mL and recrystallized overnight.
The product crystals are filtered and washed with cold ethyl acetate.
The crystals are air dried. |
| | 2,6-Bis(hydroxymethyl)-p-cresol Preparation Products And Raw materials |
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