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91-04-3

Name 2,6-Bis(hydroxymethyl)-p-cresol
CAS 91-04-3
EINECS(EC#) 202-036-4
Molecular Formula C9H12O3
MDL Number MFCD00004619
Molecular Weight 168.19
MOL File 91-04-3.mol

Chemical Properties

Appearance yellowish-brown to brown crystalline powder
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 91-04-3(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
RTECS  CZ6440000
Hazard Note  Irritant
TSCA  Yes
HS Code  29072990

Hazard Information

Material Safety Data Sheet(MSDS)

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