3-Hydroxy-4-methylbenzoic acid

Basic Information

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CAS Number

586-30-1

Molecular Formula

C8H8O3

Molecular Weight

152.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

209.0 to 212.0 deg-C

Boiling Point

352.6℃ at 760 mmHg

Flash Point

181.2℃

Refractive Index

1.4447 (estimate)

SMILES

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

InChI

InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)

InChIKey

ZQLCWPXBHUALQC-UHFFFAOYSA-N

LogP

1.3988200000000002

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

155

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Methyl 4-Methylvalerate, 97+%
3-Hydroxy-4-methylbenzoic acid, technical grade
Benzoic acid, 3-hydroxy-4-methyl-
NCIOpen2_000849
EN300-23934
A8292
BP-10046
CL9294
CS-0008323
NSC 75850
9TFP4SJ9ZT
AC-2833
W-105377
BB 0261392
AKOS000121078
NSC75850
EINECS 209-571-2
3-Hydroxy-4-methyl benzoic acid
4-methyl-3-hydroxybenzoic acid
3-Hydroxy-4-methylbenzoic acid
NS00033983
STR05899
FT-0615825
NSC-75850
H0929
UNII-9TFP4SJ9ZT
Z166652050
InChI=1/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11
FS-2669
SCHEMBL71388
DTXSID40207319

MDL Number

MFCD00002511

Customs Code

29182990

FAQ

What are the physical and chemical properties of 3-Hydroxy-4-methylbenzoic acid (CAS: 586-30-1)?

3-Hydroxy-4-methylbenzoic acid (CAS: 586-30-1) is a crystalline solid with a molecular weight of approximately 154.17 g/mol. It has a pKa of about 3.0 and is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound is reactive towards basic conditions and undergoes esterification and condensation reactions.

How is 3-Hydroxy-4-methylbenzoic acid (CAS: 586-30-1) typically synthesized?

3-Hydroxy-4-methylbenzoic acid can be synthesized via a two-step process. First, 4-methylbenzoic acid is converted to its methyl ester using methanol and an acid catalyst like sulfuric acid. Then, the methyl ester undergoes hydrolysis under basic conditions to yield 3-hydroxy-4-methylbenzoic acid. This method provides a yield of about 85%.

What industries use 3-Hydroxy-4-methylbenzoic acid (CAS: 586-30-1)?

3-Hydroxy-4-methylbenzoic acid is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also has applications in the polymer industry as a monomer and in the production of sensors and semiconductors for electronic devices.

What precautions should be taken when handling 3-Hydroxy-4-methylbenzoic acid (CAS: 586-30-1)?

When handling 3-Hydroxy-4-methylbenzoic acid (CAS: 586-30-1), wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a fume hood or a well-ventilated area, and use proper spill cleanup procedures. Refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.