3,3',5,5'-Tetra-tert-butyldiphenoquinone

Modify Date: 2025-08-25 13:49:05

3,3',5,5'-Tetra-tert-butyldiphenoquinone Structure
3,3',5,5'-Tetra-tert-butyldiphenoquinone structure
Common Name 3,3',5,5'-Tetra-tert-butyldiphenoquinone
CAS Number 2455-14-3 Molecular Weight 408.61600
Density 1.024 g/cm3 Boiling Point 492.6ºC at 760 mmHg
Molecular Formula C28H40O2 Melting Point 247-215ºC
MSDS N/A Flash Point 182.4ºC

 Names

Name 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.024 g/cm3
Boiling Point 492.6ºC at 760 mmHg
Melting Point 247-215ºC
Molecular Formula C28H40O2
Molecular Weight 408.61600
Flash Point 182.4ºC
Exact Mass 408.30300
PSA 34.14000
LogP 7.33840
Vapour Pressure 7.55E-10mmHg at 25°C
Index of Refraction 1.536
InChIKey GQIGHOCYKUBBOE-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O

 Safety Information

Hazard Codes Xi
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport

 Synthetic Route

 Synonyms

3,3',5,5'-TETRA-TERT-BUTYLDIPHENOQUINONE
3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone
Probucol Related Compound A
3,3',5,5'-tetra-tert-butyl-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione
EINECS 219-527-4
[Bi-2,5-cyclohexadien-1-ylidene]-4,4'-dione,3,3',5,5'-tetra-tert-butyl
3,3',5,5'-tetra(tert-butyl)-[1,1'-bi-(cyclohexylidene)]-2,2',5,5'-tetraene-4,4'-dione
3,3',5,5'-Tetra-tert-butyl-[1,1'-bi(cyclohexylidene)]-2,2',5,5'-tetraene-4,4'-dione
3,3′,5,5′-Tetra-tert-butyldiphenoquinone
MFCD00051798
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