Ethyl-1,4-benzoquinone
Basic information
- CAS
4754-26-1- Standard SMILES
CCC1=CC(=O)C=CC1=O- InChIKey
IGRSQEOIAAGSGS-UHFFFAOYSA-N- Molecular formula
- C8H8O2
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.05242949
Overview
ethyl-1,4-benzoquinone has been reported in Uloma tenebrionoides, Tribolium confusum, and Tribolium castaneum with data available.
Names & identifiers
- Preferred name
- Ethyl-1,4-benzoquinone
- IUPAC
- 2-ethylcyclohexa-2,5-diene-1,4-dione
- English name
- 2-ethylcyclohexa-2,5-diene-1,4-dione
- Molecular formula
- C8H8O2
- Molecular weight
- 136.15
Names & synonyms
4754-26-1Ethyl-1,4-benzoquinone2-ethylcyclohexa-2,5-diene-1,4-dione1HNJ76BQ68DTXSID50197191RefChem:1085121DTXCID601196822-Ethyl-1,4-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2-ethyl-p-Benzoquinone, 2-ethyl-2-Ethylbenzoquinone2-Ethyl-p-benzoquinone
Show more names
ethylquinoneUNII-1HNJ76BQ682-Ethylquinone; 2-Ethylbenzoquinone; 2-Ethyl-p-benzoquinone; Ethyl-p-benzoquinone; 2-Ethyl-2,5-cyclohexadiene-1,4-dione;2-Ethyl-2,5-cyclohexadiene-1,4-dione2-ethyl-[1,4]benzoquinoneSCHEMBL9733432-Ethylbenzo-1,4-quinone #SCHEMBL27522872
Database identifiers
- CAS
4754-26-1- PubChem CID
- 78494
- DTXSID
DTXSID50197191- UNII
- 1HNJ76BQ68
- Nikkaji
- J101.208H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 36.8 · 36.8-37.6 °C
- Boiling point
- 206 · 206.0±15.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly)
- form
- Low-Melting Solid
- color
- Beige
- Stability
- Stable under recommended storage conditions., Stable Under Recommended Storage C
- LogP
- 1.319 · 1.319 (est)
- FDA UNII
- 1 HNJ76BQ68 · 1HNJ76BQ68
Chemistry & industry
Applications
Uses2-Ethyl-1,4-benzoquinone are present in arthropod defense exudates and exhibit biological activity against bacteria and fungi. Defensive secretions of the European earwig Forficula auricularia against Gram-positive and Gram-negative bacteria as well as 2 entomopathogenic fungi.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…