4,4'-Thiobis(2-tert-butyl-5-methylphenol) - CAS 96-69-5
Catalog: |
BB041999 |
Product Name: |
4,4'-Thiobis(2-tert-butyl-5-methylphenol) |
CAS: |
96-69-5 |
Synonyms: |
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol |
Application: |
Used as an antioxidant in the manufacturing of synthetic rubber and plastics. |
IUPAC Name: | 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol |
Description: | 4,4'-Thiobis(2-tert-butyl-5-methylphenol) (CAS# 96-69-5) is a useful research chemical. |
Molecular Weight: | 358.54? |
Molecular Formula: | C22H30O2S |
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 |
Boiling Point: | 475.6 °C at 760 mmHg |
Melting Point: | 160-165 °C |
Flash Point: | 420 °F |
Purity: | 95 % |
Density: | 1.06~1.12 g/cm3 |
Solubility: | less than 0.1 mg/mL at 64 °F |
Appearance: | White powder |
Storage: | Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00026287 |
LogP: | 6.46080 |
Vapor Pressure: | 6.3e-07 mmHg at 158 °F |
GHS Hazard Statement: | H317 (92.4%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113337039-A | High-fluidity high-impact-resistance polypropylene material | 20210616 |
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PMID | Publication Date | Title | Journal |
28321044 | 20170101 | Investigation of the early-response genes in chemical-induced renal carcinogenicity for the prediction of chemical carcinogenicity in rats | The Journal of toxicological sciences |
21691754 | 20120601 | Synthesis and properties of optically active nanostructured polymers bearing amino acid moieties by direct polycondensation of 4,4'-thiobis(2-tert-butyl-5-methylphenol) with chiral diacids | Amino acids |
20605083 | 20100701 | A proton spin-lattice relaxation rate study of methyl and t-butyl group reorientation in the solid state | Solid state nuclear magnetic resonance |
18310895 | 20080301 | Endocrine disruptive effects of chemicals eluted from nitrile-butadiene rubber gloves using reporter gene assay systems | Biological & pharmaceutical bulletin |
18958741 | 20071001 | Identification of phenolic dermal sensitizers in a wound closure tape | Journal of immunotoxicology |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 358.19665137 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 358.19665137 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.4 |
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