4-Hydroxy-3-methylbenzenesulfonic acid

Basic Information

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CAS Number

7134-04-5

Molecular Formula

C7H8O4S

Molecular Weight

188.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C7H8O4S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4,8H,1H3,(H,9,10,11)

InChIKey

YCOXCINCKKAZMJ-UHFFFAOYSA-N

LogP

0.9473200000000002

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

241

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

7134-04-5
2-Methylphenol-4-sulfonic acid
YCOXCINCKKAZMJ-UHFFFAOYSA-N
UNII-E2JD2K5E4L
O-CRESOLSULFONICACID
m-Toluenesulfonic acid, 4-hydroxy-
J-523820
3-methyl-4-hydroxy-benzenesulfonic acid
SB67363
DTXSID40424165
AKOS006275014
NS00126843
4-(o-Cresol)sulfonic acid
o-Cresol-4-sulfonic acid
4-Hydroxy-3-methylbenzenesulfonic acid
SCHEMBL505675
o-Cresolsulfonic acid
Benzenesulfonic acid, 4-hydroxy-3-methyl-
E2JD2K5E4L
YCOXCINCKKAZMJ-UHFFFAOYSA-
2-methyl-1-phenol-4-sulfonic acid
MFCD00673681
InChI=1/C7H8O4S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4,8H,1H3,(H,9,10,11)
Q27276788
3-Methyl-4-hydroxybenzenesulfonic acid
CRESOL SULFONIC ACID
3-methyl-4-hydroxysulfonic acid
6-hydroxy-toluene-3-sulfonic acid
6-Hydroxy-toluol-3-sulfonsaeure
I09-1242
O-Cresol-4-sulfonic acid

MDL Number

MFCD00673681

Customs Code

2904100000

FAQ

What regulatory guidelines apply to 4-Hydroxy-3-methylbenzenesulfonic acid (CAS: 7134-04-5)?

4-Hydroxy-3-methylbenzenesulfonic acid (CAS: 7134-04-5) is regulated by various authorities, including GHS (Global Harmonized System of Classification and Labelling of Chemicals) for classification and labelling. Under REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the EU, it requires registration if manufactured or imported at quantities exceeding 1 ton per year. In the USA, it is regulated by the FDA for specific industrial uses and the EPA for environmental protection and disposal.

Are there alternatives to 4-Hydroxy-3-methylbenzenesulfonic acid in synthesis?

4-Hydroxy-3-methylbenzenesulfonic acid can be synthesized using alternative reagents such as 4-methylbenzenesulfonic acid and 3-hydroxybenzenesulfonic acid. Other alternatives might include using isomers or similar compounds like 3-methyl-4-hydroxybenzenesulfonic acid, depending on the specific application.

What is the market or research trend for 4-Hydroxy-3-methylbenzenesulfonic acid (CAS: 7134-04-5)?

The market for 4-Hydroxy-3-methylbenzenesulfonic acid is growing due to its use in pharmaceuticals and as a reagent in organic synthesis. Research trends are focusing on green chemistry approaches to enhance its production and utilization, including the development of more sustainable synthesis methods and its application in new drug discovery.

How should waste containing 4-Hydroxy-3-methylbenzenesulfonic acid (CAS: 7134-04-5) be handled?

Waste containing 4-Hydroxy-3-methylbenzenesulfonic acid (CAS: 7134-04-5) should be collected and disposed of in accordance with local regulations. It is recommended to use professional waste disposal services for incineration or other environmentally friendly methods. Care must be taken to prevent environmental contamination, and appropriate safety measures should be followed during handling and disposal.