2,6-Bis(hydroxymethyl)-4-methylphenol

Basic Information

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CAS Number

91-04-3

Molecular Formula

C9H12O3

Molecular Weight

168.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Physical State

Powder

Melting Point

125.0 to 128.0 deg-C

Boiling Point

237.12°C (rough estimate)

Density

1.0812 (rough estimate)

Flash Point

166.1 °C

Refractive Index

1.4371 (estimate)

SMILES

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CC1=CC(=C(C(=C1)CO)O)CO

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

LogP

0.6852199999999995

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

124

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

D88821
STK394976
.alpha.1,.alpha.3, 2-Trihydroxymesitylene
2-Hydroxy-5-methyl-1,3-benzenedimethanol
DTXSID2059017
AE-562/40177794
Q99HT08S5N
KUC106807N
SCHEMBL187792
2,6-Di(hydroxymethyl)-4-methylphenol
3,5-Bis(hydroxymethyl)-p-cresol
2,6-bis-(hydroxymethyl)-p-cresol
1, 2-hydroxy-5-methyl-
Oprea1_756581
SB83890
2,6-Bis(hydroxymethyl)-p-cresol, 95%
2,6-Bis(hydroxymethyl)-p-kresol
2,6-bis(hydroxy-methyl)-p-cresol
KSC-11-237-11
26DMPC
4-Methyl-2,6-bis(hydroxymethyl)-phenol
2,6-Dimethylol-p-cresol
AKOS000268430
Oprea1_724006
LS-29868
NSC 15838
alpha(sup 1),alpha(sup 3)-Mesitylenediol, 2-hydroxy-
2,6-Bis(hydroxymethyl)-p-cresol
EINECS 202-036-4
(2-Hydroxy-5-methyl-1,3-phenylene)dimethanol
.alpha.1, 2-hydroxy-

MDL Number

MFCD00004619

Customs Code

29072990

FAQ

What are the physical and chemical properties of 2,6-Bis(hydroxymethyl)-4-methylphenol (CAS: 91-04-3)?

2,6-Bis(hydroxymethyl)-4-methylphenol (CAS: 91-04-3) is a white crystalline solid with a molecular weight of approximately 204.22 g/mol. It has a faint phenolic odor and is slightly soluble in water. Chemically, it is highly reactive due to the presence of hydroxyl and methyl groups. The compound exhibits good reducing properties and can react with various oxidizing agents.

How is 2,6-Bis(hydroxymethyl)-4-methylphenol (CAS: 91-04-3) typically synthesized?

2,6-Bis(hydroxymethyl)-4-methylphenol is typically synthesized through the condensation of 2,6-dihydroxybenzaldehyde with methylamine. The reaction is catalyzed by sodium hydroxide and occurs in an aqueous medium. The yield is generally around 70-80%, and the method is favored for its simplicity and high reproducibility.

What industries use 2,6-Bis(hydroxymethyl)-4-methylphenol (CAS: 91-04-3)?

2,6-Bis(hydroxymethyl)-4-methylphenol (CAS: 91-04-3) is used in a variety of industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the production of polymers for electronics, as a component in sensors, and in semiconductors for its chemical and physical properties.

What precautions should be taken when handling 2,6-Bis(hydroxymethyl)-4-methylphenol (CAS: 91-04-3)?

When handling 2,6-Bis(hydroxymethyl)-4-methylphenol (CAS: 91-04-3), it is essential to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.