4-Methyl-1,3-benzenediol

Basic Information

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CAS Number

496-73-1

Molecular Formula

C7H8O2

Molecular Weight

124.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

104-108 °C

Boiling Point

264 ºC

Flash Point

130 ºC

Refractive Index

1.4922 (estimate)

SMILES

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CC1=C(C=C(C=C1)O)O

InChI

InChI=1S/C7H8O2/c1-5-2-3-6(8)4-7(5)9/h2-4,8-9H,1H3

InChIKey

FNYDIAAMUCQQDE-UHFFFAOYSA-N

LogP

1.4062199999999998

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

92.9

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SCHEMBL63180
ghl.PD_Mitscher_leg0.301
2,4-Dihydroxytoluene
4-Methyl-1,3-benzenediol
NS00031936
4-Methylresorcinol, 97%
BDBM50187504
AKOS015890686
2,4-Dihydroxy-toluene
DTXSID2060092
?4-METHYLRESORCINOL
FNYDIAAMUCQQDE-UHFFFAOYSA-N
AMY38375
GS-3775
496-73-1
1,3-Benzenediol, 4-methyl-
MFCD00016452
SY110464
4-methylbenzene-1,3-diol
CHEMBL3828450
FT-0632229
A827790
CS-W005468
EINECS 207-827-8
4-METHYLRESORCINOL
M2248
4-Methylbenzene-1,3-diol
4-Methylresorcinol
C7H8O2
2,4-Toluenediol
1,3-Dihydroxy-4-methylbenzene

MDL Number

MFCD00016452

FAQ

What are the physical and chemical properties of 4-Methyl-1,3-benzenediol (CAS: 496-73-1)?

4-Methyl-1,3-benzenediol (CAS: 496-73-1) is a white, crystalline solid with a molecular weight of 143.16 g/mol. It has a solubility of 1.22 g/100 mL in water and is slightly soluble in ethanol. This compound is reactive, particularly towards nucleophilic substitution reactions. It exhibits a pKa of around 11.2 and is used in various industrial applications due to its chemical stability and reactivity.

How is 4-Methyl-1,3-benzenediol (CAS: 496-73-1) typically synthesized?

4-Methyl-1,3-benzenediol (CAS: 496-73-1) can be synthesized through a classic reduction of the corresponding benzenedicarboxylic acid using sodium borohydride. The reaction is carried out in an aqueous medium, and the use of a high-purity reducing agent is crucial for obtaining high yield and selectivity. The process is typically conducted under gentle conditions to maintain the structural integrity of the product.

What industries use 4-Methyl-1,3-benzenediol (CAS: 496-73-1)?

4-Methyl-1,3-benzenediol (CAS: 496-73-1) is utilized in various industries. It is commonly found in pharmaceuticals for its intermediate role in drug synthesis, in polymers for its stabilizing properties, and in sensors for its reactivity to certain analytes. Additionally, it is used in semiconductor applications due to its electron-donating ability, enhancing the performance of certain devices.

What precautions should be taken when handling 4-Methyl-1,3-benzenediol (CAS: 496-73-1)?

When handling 4-Methyl-1,3-benzenediol (CAS: 496-73-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.