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

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

Usage And Synthesis

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