4,4'-Thiobis(2-tert-butyl-5-methylphenol)
Product Information
Molecular Formula
C22H30O2S
Molecular Weight
358.54?
Description
4,4'-Thiobis(2-tert-butyl-5-methylphenol) (CAS# 96-69-5) is a useful research chemical.
Synonyms
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
IUPAC Name
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
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
Application
Used as an antioxidant in the manufacturing of synthetic rubber and plastics.
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.
LogP
6.46080
Vapor Pressure
6.3e-07 mmHg at 158 °F
Odor
Slightly aromatic odor.
Safety Information
Hazards
H315:
Causes skin irritation.
H317:
May cause an allergic skin reaction.
H319:
Causes serious eye irritation.
H373:
May cause damage to organs through prolonged or repeated exposure.
Causes skin irritation.
H317:
May cause an allergic skin reaction.
H319:
Causes serious eye irritation.
H373:
May cause damage to organs through prolonged or repeated exposure.
Precautionary Statement
P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P391, and P501
Signal Word
Warning
Computed Properties
XLogP3
7.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
358.19665137 g/mol
Monoisotopic Mass
358.19665137 g/mol
Topological Polar Surface Area
65.8Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
396
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022036178-A | Performance evaluation method and manufacturing control method of foamable laminate | 2021-12-28 |
| CN-114133515-A | Super-hydrophobic super-oleophylic polyurethane sponge polymer material and preparation method thereof | 2021-12-21 |
| CN-114031837-A | Crosslinkable polyethylene insulating material for high-voltage cable, preparation method and application thereof | 2021-12-20 |
| CN-114085468-A | Solvent-resistant ABS composite material suitable for blow molding and preparation method thereof | 2021-12-06 |
| JP-2022043096-A | Resin composition, method for manufacturing cured relief pattern, and semiconductor device | 2021-12-01 |
| CN-114031903-A | Biodegradable material and film product and application thereof | 2021-11-29 |
| CN-113863019-A | Anti-aging PVC tarpaulin and preparation process thereof | 2021-11-15 |
| CN-113789042-A | Flame-retardant environment-friendly PC-ABS composite plastic master batch and preparation method thereof | 2021-11-03 |
| CN-114044692-A | Semiconductor wave-transmitting material containing nano inorganic mullite-alumina hollow microspheres | 2021-10-28 |
| CN-113975779-A | Flexible self-adaptation protective equipment | 2021-10-26 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 28321044 | 2017-01-01 | 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 | 2012-06-01 | 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 | 2010-07-01 | A proton spin-lattice relaxation rate study of methyl and t-butyl group reorientation in the solid state | Solid state nuclear magnetic resonance |
| 18310895 | 2008-03-01 | Endocrine disruptive effects of chemicals eluted from nitrile-butadiene rubber gloves using reporter gene assay systems | Biological & pharmaceutical bulletin |
| 18958741 | 2007-10-01 | Identification of phenolic dermal sensitizers in a wound closure tape | Journal of immunotoxicology |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 16231125 | 2006-04-01 | Male reproductive toxicity of four bisphenol antioxidants in mice and rats and their estrogenic effect | Archives of toxicology |
| 16048847 | 2005-01-01 | Chemical-induced atrial thrombosis in NTP rodent studies | Toxicologic pathology |
| 10989984 | 2000-07-01 | Steroid hormone activity of flavonoids and related compounds | Breast cancer research and treatment |
| 4973 | 1976-04-01 | Hyperactive children and the efficacy of psychoactive drugs as a treatment intervention | The American journal of orthopsychiatry |
