CAS No.96-69-5,4,4'-Thiobis(6-tert-butyl-m-cresol) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96-69-5
Name:	4,4'-Thiobis(6-tert-butyl-m-cresol)

Formula:	C₂₂H₃₀O₂S
Molecular Weight:	358.545
Synonyms:	m-Cresol,4,4'-thiobis[6-tert-butyl- (8CI);1,1'-Thiobis(2-methyl-4-hydroxy-5-tert-butyl)benzene;2,2'-Di-tert-butyl-5,5'-dimethyl-4,4'-thiodiphenol;4,4'-Thiobis(6-t-butyl-m-cresol);4,4'-Thiobis[2-tert-butyl-5-methylphenol];4,4'-Thiobis[6-tert-butyl-3-methylphenol];4,4'-Thiobis[6-tert-butyl-m-cresol];Antage Crystal;Antigene WX-R;Antioxidant AO;Antioxidant TMB 6;Bis(2-methyl-4-hydroxy-5-tert-butylphenyl) sulfide;Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)sulfide;Bis(5-tert-butyl-4-hydroxy-2-methylphenyl) sulfide;Disperse MB 61;Durad AX16;Irganox 415;Keminox 236T;Lowinox 44S36;Lowinox TBM 6;Lowinox TBM 6P;N300;Nocrac 300;Nonflex BPS;Nonflex BPS-R;Santonox;Santonox BM;Santonox TBMC;Sumilizer WX;Sumilizer WX-R;Thioalkofen BM;Thioalkofen BM 4;Thioalkofen MBCh;Ultranox 236;Yoshinox SR;ZBX 1R;
EINECS:	202-525-2
Density:	1.11 g/cm³
Melting Point:	160-165 °C
Boiling Point:	475.6 °C at 760 mmHg
Flash Point:	230.7 °C
Solubility:	<0.01 g/100 mL at 18 °C in water
Appearance:	White or light gray to tan powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	65.76000
LogP:	6.46080

Synthetic route

: 88-60-8
2-tert-Butyl-5-methylphenol

: 96-69-5
Santonox R

Conditions

Conditions	Yield
With hexane; sulfur dichloride

: 96-69-5
Santonox R

: 31710-39-1
2,2'-Di-tert-butyl-5,5'-dimethyl-4,4'-sulfinyl-di-phenol

Conditions

Conditions	Yield
With C28H12Br4N12OV(4+)*4CBr3(1-); dihydrogen peroxide In water; acetonitrile at 20℃; for 3h; chemoselective reaction;	63%

: 96-69-5
Santonox R

: 110-53-2
1-Bromopentane

: bis(5-(tert-butyl)-2-methyl-4-(pentyloxy)phenyl)sulfane

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃;	60.5%

: 96-69-5
Santonox R

: bis-allylnickel chloride

: 79060-88-1
sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate

: 1220750-96-8
[Ni(4,4'-thio-bis(6-tert-butyl-m-cresol))2(η3-allyl)](B(3,5-(CF3)2C6H3)4)

Conditions

Conditions	Yield
In diethyl ether under inert atm.; using Schlenk technique; Et2O soln. of 4,4'-thio-bis(6-tert-butyl)-m-cresol and NaB((CF3)2C6H3)4 added to stirred soln. of Ni complex in Et2O at -60°C; after 2 h cooling bath removed, stirredat room temp. overnight; solvent evapd. under vac., residue extd. with CH2Cl2; soln. filtered, concd.; crystd. twice from CH2Cl2-hexane; elem. anal.;	60%

...Expand

: 96-69-5
Santonox R

: 126840-21-9
<(2)H11>Pentyl bromide

: bis(5-(tert-butyl)-2-methyl-4-(pentyl-d22-oxy)phenyl)sulfane

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 85℃;	59.1%

: 96-69-5
Santonox R

sodium thiomethoxide (NaSMe): sodium thiomethoxide (NaSMe)

: 350-30-1
3-chloro-4-fluoronitrobenzene

: 77146-55-5
2-chloro-1-(methylsulfanyl)-4-nitrobenzene

Conditions

Conditions	Yield
In N,N-dimethyl-formamide; pentane	49%
In N,N-dimethyl-formamide; pentane	49%

...Expand

: 96-69-5
Santonox R

: 400-74-8
2-Fluoro-5-nitrobenzotrifluoride

: 5188-07-8
sodium thiomethoxide

: 60789-49-3
1-(methylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
In N,N-dimethyl-formamide	15%
In N,N-dimethyl-formamide	15%

...Expand

: 123-75-1
pyrrolidine

: 96-69-5
Santonox R

: 50-00-0
formaldehyd

: 124514-35-8
bis-(5-tert-butyl-4-hydroxy-2-methyl-3-pyrrolidinomethyl-phenyl)-sulfide

Conditions

Conditions	Yield
With ethanol

...Expand

: 110-89-4
piperidine

: 96-69-5
Santonox R

: 50-00-0
formaldehyd

: 124120-10-1
bis-(5-tert-butyl-4-hydroxy-2-methyl-3-piperidinomethyl-phenyl)-sulfide

Conditions

Conditions	Yield
With ethanol

...Expand

: 96-69-5
Santonox R

: 80-15-9
Cumene hydroperoxide

: 31710-39-1
2,2'-Di-tert-butyl-5,5'-dimethyl-4,4'-sulfinyl-di-phenol

Conditions

Conditions	Yield
With benzene

Raw Materials

88-60-8

Total:137 Page 1 of 4 1 2 3 4 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA Total Dust: 10 mg/m³; Respirable Fraction: 5 mg/m³
ACGIH TLV: TWA 10 mg/m³; Not Classifiable as a Human Carcinogen
NIOSH REL: (4,4′-Thiobis(6-t-butyl-m-cresol), Dust): TWA 10 mg/m³; air: TWA 5 mg/m³

Specification

The Santonox , with cas registry number of 96-69-5, has other registry numbers including (1) 126340-60-1 ; (2) 12671-70-4 ; (3) 188253-47-6 ; (4) 381726-02-9 ; (5) 52012-53-0 ; (6) 60318-32-3 ; (7) 76996-60-6. Its EINECS registry number is 202-525-2. This chemical is a kind of Industrial/Fine Chemicals; Organics. Its IUPAC name is called 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol . And its systematic name is called 4,4'-sulfanediylbis(2-tert-butyl-5-methylphenol) . Besides this, it has its own superlist names including 4,4'-Thiobis(6-tert-butyl-m-cresol) ; Phenol, 4,4'-thiobis(2-(1,1-dimethylethyl)-5-methyl- ; m-Cresol, 4,4'-thiobis(6-tert-butyl- .

Physical properties about this chemical are: (1) ACD/LogP: 7.63 ; (2) # of Rule of 5 Violations: 1 ; (3) ACD/LogD (pH 5.5): 7.63 ; (4) ACD/LogD (pH 7.4): 7.63 ; (5) ACD/BCF (pH 5.5): 373211.25 ; (6) ACD/BCF (pH 7.4): 373051.88 ; (7) ACD/KOC (pH 5.5): 338826.84 ; (8) ACD/KOC (pH 7.4): 338682.16 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 6 ; (12) Index of Refraction: 1.594 ; (13) Molar Refractivity: 108.82 cm³ ; (14) Molar Volume: 320.3 cm³ ; (15) Surface Tension: 48.7 dyne/cm ; (16) Density: 1.11 g/cm³ ; (17) Flash Point: 230.7 °C ; (18) Enthalpy of Vaporization: 76.74 kJ/mol ; (19) Boiling Point: 475.6 °C at 760 mmHg ; (20) Vapour Pressure: 1.14E-09 mmHg at 25°C.

This chemical is used as non polluting antioxidants. It is mainly used for PE packaging film and white and light rubber latex products. It can also be used for latex products, ABS resin, etc.

When you are using this chemical, please be cautious about it as the following:
Poison by intraperitoneal route and probably by ingestion and inhalation. Mutation data reported. When heated to decomposition it emits highly toxic fumes of SO_x. When you are using it, wear suitable gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:S(c1c(cc(O)c(c1)C(C)(C)C)C)c2cc(c(O)cc2C)C(C)(C)C;
(2)InChI:InChI=1/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;
(3)InChIKey:HXIQYSLFEXIOAV-UHFFFAOYAJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	50mg/kg (50mg/kg)	National Technical Information Service. Vol. AD277-689,
rabbit	LD50	oral	3200mg/kg (3200mg/kg)	International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
rat	LD50	oral	2345mg/kg (2345mg/kg)	International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.