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

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

Chemical Properties

Melting point 160-165 °C
Boiling point 460.94°C (rough estimate)
Density  1.06~1.12g/cm3
vapor pressure  0.001Pa at 20℃
refractive index  1.5200 (estimate)
Flash point 215 °C
storage temp.  Store below +30°C.
solubility  DMSO (Slightly), Methanol (Slightly)
pka 10.76±0.36(Predicted)
form  Fine white to gray powder.
color  White to Off-White
Water Solubility  <0.01 g/100 mL at 18 ºC
Stability Stable under recommended storage conditions., Stable Under Recommended Storage C
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
SMILES Cc1cc(O)c(cc1Sc2cc(c(O)cc2C)C(C)(C)C)C(C)(C)C
LogP 5.24 at 25℃
CAS DataBase Reference 96-69-5(CAS DataBase Reference)
NIST Chemistry Reference 4,4'-Thiobis(3-methyl-6-t-butylphenol)(96-69-5)
EPA Substance Registry System 4,4'-Thiobis(6-tert-butyl-m-cresol) (96-69-5)

Safety Information

Hazard Codes  Xi,N
Risk Statements  36/37/38-50/53-43
Safety Statements  37/39-26-61-60-36/37-24/25
OEB B
OEL TWA: 10 mg/m3 (total)
RIDADR  UN3077
WGK Germany  WGK 2 water endangering
RTECS  GP3150000
Autoignition Temperature 402 °C
TSCA  TSCA listed
HazardClass  9
HS Code  29309070
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1
Hazardous Substances Data 96-69-5(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 2345 mg/kg

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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