1,2-Bis(4-isopropylphenyl)ethane-1,2-dione
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Basic information
- CAS
79135-58-3- Standard SMILES
CC(C)c1ccc(C(=O)C(=O)c2ccc(C(C)C)cc2)cc1- InChIKey
LVSZQGATCLRLCP-UHFFFAOYSA-N- Molecular formula
- C20H22O2
- Average molar mass
- 294.4 g/mol
Names & identifiers
- Preferred name
- 1,2-Bis(4-isopropylphenyl)ethane-1,2-dione
- IUPAC
- 1,2-bis(4-propan-2-ylphenyl)ethane-1,2-dione
- English name
- Cuminil
- Molecular formula
- C20H22O2
- Molecular weight
- 294.39
Names & synonyms
Cuminil79135-58-31,2-bis(4-isopropylphenyl)ethane-1,2-dioneSCHEMBL942029712-bis(4-isopropylphenyl)ethane-12-dioneH573994,4'-Diisopropyl-benzil1,2-Ethanedione, 1,2-bis[4-(1-methylethyl)phenyl]-
Database identifiers
- CAS
79135-58-3- Nikkaji
- J1.469.509E
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 78 · 78-79 °C(Solv: hexane (110-54-3))
- Boiling point
- 425.5 · 425.5±34.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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