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

form 

powder to crystal

pka

10.20±0.23(Predicted)

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)

Safety Information

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

MSDS

• Language:English Provider:2,6-Bis(hydroxymethyl)-p-cresol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

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(91-04-3)Related Product Information

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