4,4-Thiobis(6-tert-butyl-m-cresol)

• CAS: 96-69-5
• Catalog Number: ACM96695
• Category: Other Products
• Molecular Weight: 358.5g/mol
• Molecular Formula: C22H30O2S
• Description: 4,4'-thiobis(6-tert-butyl-m-cresol) appears as white or light gray to tan powder. (NTP, 1992);DryPowder; DryPowder, PelletsLargeCrystals;Light-gray to tan powder with a slightly aromatic odor.;Light-gray to tan powder with a slightly aromatic odor.
• Synonyms: 5-TERT-BUTYL-4-HYDROXY-2-METHYLPHENYL SULFIDE;4,4-Thiobis(3-methyl-6-tert-butylphenol);4,4-THIO-BIS-(6-T-BUTYL-3-METHYLPHENOL);4,4-THIOBIS(2-T-BUTYL-5-METHYLPHENOL);4,4-THIOBIS(2-TERT-BUTYL-5-METHYLPHENOL);4,4-THIOBIS(6-TERT-BUTYL-M-CRESOL);4,4-THIOBIS(6-TERT-BUTYL-M-CRESOL);1,1-Thiobis(2-methyl-4-hydroxy-5-tert-butylbenzene)
• IUPAC Name: 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
• Canonical SMILES: CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
• 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
• InChI Key: HXIQYSLFEXIOAV-UHFFFAOYSA-N
• Melting Point: 302 °F (NTP, 1992);162.0 °C;150 °C;302°F;302°F
• Flash Point: 420 °F (NTP, 1992);420°F;420°F
• Density: 1.1 at 77 °F (NTP, 1992);1.10;1.10
• Solubility: less than 0.1 mg/mL at 64° F (NTP, 1992);VERY SOL IN METHANOL (79%); SOL IN ACETONE (20%); SLIGHTLY SOL IN BENZENE (5%); VERY SLIGHTLY SOL IN WATER (0.08%);0.08%
• Application: 4,4-Thiobis(6-tert-butyl-m-cresol), often referred to as Antioxidant 300, serves a vital role in the rubber and plastics industries as a highly effective, non-polluting phenolic antioxidant. Characterized by its white to light gray powder form and aromatic odor, this compound is primarily employed to inhibit radical formation and prevent thermal decomposition, thereby safeguarding materials from oxidation and deterioration. It offers excellent thermal stability and weather resistance, with the added benefit of minimal impact on the electrical properties of end products. Compatible with materials such as polypropylene, ABS, polystyrene, and others, it is especially suitable for creating white, bright-colored, and transparent products. Moreover, its low volatility, low toxicity, and solubility in various organic solvents make it a versatile choice, even in applications involving food-contact plastics across numerous countries. Additionally, it enhances performance when used alongside carbon black and octadecyl alcohol.
• Color/Form: LIGHT GREY POWDER;FINE WHITE CRYSTALS;Light gray to tan powder.
• Complexity: 396
• Covalently-Bonded Unit Count: 1
• EC Number: 202-525-2
• Exact Mass: 358.196651g/mol
• Formal Charge: 0
• Hazard Statements: Xi,N
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 25
• Monoisotopic Mass: 358.196651g/mol
• NSC Number: 35388
• Odor: Slightly aromatic odor.
• Other Experimental: SANTONOX R MELTING POINT: 161 °C
• Rotatable Bond Count: 4
• RTECS Number: GP3150000
• Safety Description: 37/39-26-61-60-36/37
• Supplemental Hazard Statements: H315-H317-H319-H373
• Symbol: GHS07,GHS08
• UNII: 3CA5G9822V
• Vapor Pressure: 6.3e-07 mm Hg at 158 °F (NTP, 1992);0.0000006 mmHg;0.0000006 mmHg
• XLogP3: 7.4

Custom Q&A

What is the molecular formula of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The molecular formula of 4,4-Thiobis(6-tert-butyl-m-cresol) is C22H30O2S.

What is the molecular weight of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The molecular weight of 4,4-Thiobis(6-tert-butyl-m-cresol) is 358.5 g/mol.

What is the IUPAC name of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The IUPAC name of 4,4-Thiobis(6-tert-butyl-m-cresol) is 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol.

What is the InChI of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The InChI of 4,4-Thiobis(6-tert-butyl-m-cresol) is 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.

What is the InChIKey of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The InChIKey of 4,4-Thiobis(6-tert-butyl-m-cresol) is HXIQYSLFEXIOAV-UHFFFAOYSA-N.

What is the canonical SMILES of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The canonical SMILES of 4,4-Thiobis(6-tert-butyl-m-cresol) is CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O.

What is the CAS number of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The CAS number of 4,4-Thiobis(6-tert-butyl-m-cresol) is 96-69-5.

What is the EC number of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The EC number of 4,4-Thiobis(6-tert-butyl-m-cresol) is 202-525-2.

What is the UNII of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The UNII of 4,4-Thiobis(6-tert-butyl-m-cresol) is 3CA5G9822V.

What is the molecular weight of 4,4-Thiobis(6-tert-butyl-m-cresol) computed by PubChem?

The molecular weight of 4,4-Thiobis(6-tert-butyl-m-cresol) computed by PubChem is 358.5 g/mol.