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Pentaerythritol tetrabenzoate Structure

Pentaerythritol tetrabenzoate

  • Product NamePentaerythritol tetrabenzoate
  • CAS4196-86-5
  • CBNumberCB7148950
  • MFC33H28O8
  • MW552.57
  • EINECS224-079-8
  • MDL NumberMFCD00020676
  • MOL File4196-86-5.mol

Chemical Properties

Melting point: 102-104 °C(lit.)
Boiling point: 583.14°C (rough estimate)
Density  1.1594 (rough estimate)
vapor pressure  0Pa at 20℃
refractive index  1.6000 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  solid
color  Off white solid
Odor mild odor
Water Solubility  10μg/L at 20℃
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI 1S/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKey MINJAOUGXYRTEI-UHFFFAOYSA-N
SMILES O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4
LogP 6.2 at 25℃
CAS DataBase Reference 4196-86-5(CAS DataBase Reference)
EPA Substance Registry System 2,2-Bis((benzoyloxy)methyl)-1,3-propanediol dibenzoate (4196-86-5)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Hazard Codes  Xn
Risk Statements  22
WGK Germany  3
RTECS  RZ2605000
TSCA  TSCA listed
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity LD50 orl-rat: 10 g/kg NPIRI* 2,83,75
REACH Registrations Active

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