4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol)

Basic Information

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CAS Number

125-31-5

Molecular Formula

C23H22O5S

Molecular Weight

410.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

212 °C (dec.)

Boiling Point

577.2±50.0 °C at 760 mmHg

Flash Point

302.9±30.1 °C

Refractive Index

1.627

Vapor Pressure

0.0±1.7 mmHg at 25°C

SMILES

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Cc1cc(c(cc1O)C)C2(c3ccccc3S(=O)(=O)O2)c4cc(c(cc4C)O)C

InChI

InChI=1S/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23/h5-12,24-25H,1-4H3

InChIKey

MGUKYHHAGPFJMC-UHFFFAOYSA-N

LogP

4.342280000000002

pKa

9.52(at 25℃)

Topological Polar Surface Area

83.83 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

671

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

Synonyms & References

English

Xylenol Blue
p-Xylenol Blue
4,4-(3H-2,1-benzoxathiol-3-ylidene)bis(2,5-dimethylphenol) S,S-dioxide
p-Xylenolsulphonephthalein
p-Xylenol Blue, indicator
XYLENOL BLUE INDICATOR GRADE
4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,5-dimethylphenol
Indicator
p-Xylenolsulfonephthalein p-Xylenol Blue
Xylene
p-Xylenolsulfonephthalein
1,4-Dimethyl-5-hydroxybenzenesulfonphthalein
p-Xylenesulfonephthalein
p-Xylenolsulfonphthalein
Nsc 10471
P-cresol blue
PARA-XYLENOL BLUE
p-Xylenol Blue p.a.
XYLENOL BLUE FREE ACID
PARA-XYLENOLBLUE,NASALT
P-xylenolsulfophthalein
P-XYLENOL BLUE INDICATOR
p-Xylenol blue
XYLENOL BLUE
P-XYLENOL BLUE

MDL Number

MFCD00005870

Customs Code

2934991000

FAQ

What regulatory guidelines apply to 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol) (CAS: 125-31-5)?

4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol) (CAS: 125-31-5) is subject to regulatory guidelines under the GHS system, which includes classification for health and environmental hazards. In the EU, it is regulated under REACH, and in the US, it is managed by the FDA and EPA for health and environmental concerns. Specific safety data sheets (SDS) and compliance with local and international regulations are essential for handling and storage.

Are there alternatives to 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol) (CAS: 125-31-5) in synthesis?

There are several alternatives to 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol) (CAS: 125-31-5) in synthesis, including analogous compounds such as 4,4'-methylenebis(2,5-dimethylphenol) and 4,4'-biphenyldiol. Isomers and other reagents like diphenyl ether or phenolic compounds can also serve as substitutes, depending on the specific reaction conditions and desired product properties.

What is the market or research trend for 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol) (CAS: 125-31-5)?

The market and research trend for 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol) (CAS: 125-31-5) reflects increasing interest in its applications in various fields such as materials science and pharmaceuticals. Research is focusing on its potential as a crosslinking agent and its use in polymer synthesis. Market trends indicate growing demand, particularly in industries requiring high-performance materials with specific thermal and mechanical properties.

How should waste containing 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol) (CAS: 125-31-5) be handled?

Waste containing 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,5-dimethylphenol) (CAS: 125-31-5) should be collected and disposed of via professional waste disposal services. Incineration is an effective method, provided it is conducted in facilities compliant with environmental regulations. Environmental protection precautions include minimizing contamination, ensuring proper labeling, and adhering to local hazardous waste disposal regulations to prevent environmental harm.