Pentaerythritol tetrabenzoate - CAS 4196-86-5
Catalog: |
BB025001 |
Product Name: |
Pentaerythritol tetrabenzoate |
CAS: |
4196-86-5 |
Synonyms: |
[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate |
IUPAC Name: | [3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate |
Description: | Pentaerythritol tetrabenzoate (CAS# 4196-86-5 ) is a useful research chemical. |
Molecular Weight: | 552.57 |
Molecular Formula: | C33H28O8 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4 |
InChI: | 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 |
InChI Key: | MINJAOUGXYRTEI-UHFFFAOYSA-N |
Boiling Point: | 684.3 °C at 760 mmHg |
Melting Point: | 102-104 °C(lit.) |
Purity: | 95 % |
Density: | 1.255 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Cream-colored solid. |
LogP: | 5.40080 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112480590-A | High-performance wood-plastic tray and manufacturing method thereof | 20201029 |
CN-112279358-A | Method for carrying out sewage treatment by recycling wood-plastic composite material | 20200917 |
CN-111906472-A | Solder wire soldering flux capable of reducing splashing and preparation method thereof | 20200810 |
WO-2021123318-A1 | Panel for constructing a floor or wall covering | 20191218 |
US-2021171739-A1 | Cellulose Ester Composition Containing Other Bio-Based Polymers | 20191210 |
Complexity: | 704 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 552.17841785 |
Formal Charge: | 0 |
Heavy Atom Count: | 41 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 552.17841785 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 105 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.5 |
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