2,6-Bis(hydroxymethyl)-p-cresol
- CAS NO.:91-04-3
- Empirical Formula: C9H12O3
- Molecular Weight: 168.19
- MDL number: MFCD00004619
- EINECS: 202-036-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-01 10:15:05
What is 2,6-Bis(hydroxymethyl)-p-cresol?
Chemical properties
brown crystalline powder
The Uses of 2,6-Bis(hydroxymethyl)-p-cresol
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.
What are the applications of Application
2,6-Bis(hydroxymethyl)-p-cresol is a bridging ligand
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.
Properties of 2,6-Bis(hydroxymethyl)-p-cresol
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 |
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) |
Safety information for 2,6-Bis(hydroxymethyl)-p-cresol
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2,6-Bis(hydroxymethyl)-p-cresol
InChIKey | KUMMBDBTERQYCG-UHFFFAOYSA-N |
SMILES | C1(CO)=CC(C)=CC(CO)=C1O |
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