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3,5-Di-tert-butylphenol Structure

3,5-Di-tert-butylphenol

  • Product Name3,5-Di-tert-butylphenol
  • CAS1138-52-9
  • CBNumberCB5686580
  • MFC14H22O
  • MW206.32
  • EINECS214-513-4
  • MDL NumberMFCD00008829
  • MOL File1138-52-9.mol

Chemical Properties

Melting point: 87-89 °C(lit.)
Boiling point: 281.58°C (estimate)
Density  0.9389 (estimate)
refractive index  1.5073 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 10.21±0.10(Predicted)
color  Pale Brown to Light Brown
Stability: Stable. Incompatible with bases, acid chlorides, acid anhydrides, oxidizing agents, brass, steel, copper, copper alloys.
InChI InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3
InChIKey ZDWSNKPLZUXBPE-UHFFFAOYSA-N
SMILES C1(O)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1
LogP 4.640
CAS DataBase Reference 1138-52-9(CAS DataBase Reference)
EPA Substance Registry System 3,5-Di-tert-butylphenol (1138-52-9)

Safety

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H314
Precautionary statements  P280-P305+P351+P338-P310
Hazard Codes  C
Risk Statements  34-41
Safety Statements  26-36/37/39-45
RIDADR  3077
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  2907199090

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