4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol] | CAS No. 96-69-5

Q: What is 4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol] (CAS: 96-69-5)?

4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol], with CAS number 96-69-5, is a bisphenol derivative containing a sulfide bridge (-S-) between two para-positions of phenol rings. Its chemical formula is C18H24O4S. The compound features tert-butyl and methyl substituents, contributing to its stability and reactivity. It is a white solid with moderate solubility in organic solvents and is commonly used as an intermediate in chemical synthesis.

Q: What are the main uses of 4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol] (CAS: 96-69-5)?

This compound is primarily used in the production of polymeric materials and as a precursor in pharmaceutical and industrial applications. It serves as a key intermediate in synthesizing sulfonated derivatives and functional compounds. Additionally, it finds use in research for developing new chemical entities and in applications requiring UV resistance or thermal stability due to its aromatic structure and branching substituents.

Q: Is 4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol] (CAS: 96-69-5) safe?

Safety data for this compound is limited, but as a chemical intermediate, it requires standard handling precautions. It is advisable to use personal protective equipment (PPE) such as gloves and goggles when working with it. While not classified as highly toxic, its safety profile depends on exposure conditions, and adherence to OSHA and EPA guidelines is recommended. Always consult a Material Safety Data Sheet (MSDS) for detailed information.

Q: How should 4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol] (CAS: 96-69-5) be stored?

Store this compound in a cool, dry, and dark environment to maintain stability. Keep it in a tightly sealed container made of inert material, such as glass or stainless steel, to prevent contamination. Avoid exposure to moisture, heat, and incompatible substances. Maintain storage conditions below 25°C and ensure humidity levels remain low to prevent degradation. Proper labeling and storage in a well-ventilated area are also essential.

4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol]

Basic Information

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CAS Number

96-69-5

Molecular Formula

C22H30O2S

Molecular Weight

358.55 g/mol

Chemical Classification

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

160.0 to 164.0 deg-C

Boiling Point

475.6°C at 760 mmHg

Density

1.06~1.12g/cm3

Water Solubility

<0.01 g/100 mL at 18 ºC

Flash Point

215 ºC

Refractive Index

1.5200 (estimate)

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

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CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C

InChI

InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3

InChIKey

HXIQYSLFEXIOAV-UHFFFAOYSA-N

LogP

6.460840000000006

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

396

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Synonyms & References

English

4,4'-Thiobis(2-(tert-butyl)-5-methylphenol)
4,4'-Thio-bis(6-tert-butyl-m-methyl phenol)
4,4'-Thiobis(6-tert-butyl-m-cresol)
4.4-Thiobis(6-tert-butyl-m-cresol)
Lowinox? TBM-6
Santanox R
4,4-Thiob
5-tert-butyl-4-hydroxy-2-methylphenylsulfide
nocrac300
nonflexbps
Rutenol
Santonox
santonoxbm
Thanox300
USAF B-15
yoshinoxs
Bis(5-tert-butyl-4-hydroxy-2-methylphenyl) Sulfide
1,1'-Thiobis(2-methyl-4-hydroxy-5-tert-butylbenzene)
4,4'-Thiobis(2-tert-butyl-5-methylphenol)
4,4'-Thiobis(3-methyl-6-tert-butylphenol)
5-tert-Butyl-4-hydroxy-2-methylphenyl sulfide
4,4'Thiobis(2-t-butyl-5-methylphenol)
Sumilizer WX
Yoshinox SR
Santonox BM
Thioalkofen MBCh
Thioalkofen BMCH
Sumilizer WX-R
Santowhite crystals
Thioalkofen BM 4
Thioalkophene BM-4

MDL Number

MFCD00026287

Customs Code

29309070

FAQ

What is 4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol] (CAS: 96-69-5)?

4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol], with CAS number 96-69-5, is a bisphenol derivative containing a sulfide bridge (-S-) between two para-positions of phenol rings. Its chemical formula is C18H24O4S. The compound features tert-butyl and methyl substituents, contributing to its stability and reactivity. It is a white solid with moderate solubility in organic solvents and is commonly used as an intermediate in chemical synthesis.

What are the main uses of 4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol] (CAS: 96-69-5)?

This compound is primarily used in the production of polymeric materials and as a precursor in pharmaceutical and industrial applications. It serves as a key intermediate in synthesizing sulfonated derivatives and functional compounds. Additionally, it finds use in research for developing new chemical entities and in applications requiring UV resistance or thermal stability due to its aromatic structure and branching substituents.

Is 4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol] (CAS: 96-69-5) safe?

Safety data for this compound is limited, but as a chemical intermediate, it requires standard handling precautions. It is advisable to use personal protective equipment (PPE) such as gloves and goggles when working with it. While not classified as highly toxic, its safety profile depends on exposure conditions, and adherence to OSHA and EPA guidelines is recommended. Always consult a Material Safety Data Sheet (MSDS) for detailed information.

How should 4,4'-Sulfanediylbis[5-methyl-2-(2-methyl-2-propanyl)phenol] (CAS: 96-69-5) be stored?

Store this compound in a cool, dry, and dark environment to maintain stability. Keep it in a tightly sealed container made of inert material, such as glass or stainless steel, to prevent contamination. Avoid exposure to moisture, heat, and incompatible substances. Maintain storage conditions below 25°C and ensure humidity levels remain low to prevent degradation. Proper labeling and storage in a well-ventilated area are also essential.