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HomeProduct name list2,6-Bis(hydroxymethyl)-p-cresol

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
2,6-Bis(hydroxymethyl)-p-cresol Structural

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)
ghs
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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