Duroquinone
Basic information
- CAS
527-17-3- Standard SMILES
CC1=C(C)C(=O)C(C)=C(C)C1=O- InChIKey
WAMKWBHYPYBEJY-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
Duroquinone is a member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which all four hydrogens are substituted by methyl groups.
Names & identifiers
- Preferred name
- Duroquinone
- IUPAC
- 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
- English name
- DUROQUINONE
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
Duroquinone527-17-3Tetramethyl-1,4-benzoquinone2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dioneTetramethyl-p-benzoquinoneTetramethylquinone2,3,5,6-Tetramethyl-1,4-benzoquinoneTetramethyl-p-quinone2,3,5,6-Tetramethyl-p-benzoquinone2,3,5,6-Tetramethylbenzoquinonep-Benzoquinone, tetramethyl-p-Benzoquinone, 2,3,5,6-tetramethyl-
Show more names
2,3,5,6-Tetramethylbenzo-1,4-quinoneuroquinoneDUROQUINONE 97%Duroquinone,97%Duroquinone,98+%Duroquinone, 97% 1GR
2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl-DTXSID50200659NSC-2068X0Q8791R69CHEBI:42023RefChem:136012DTXCID30123150208-409-8
Database identifiers
- CAS
527-17-3- PubChem CID
- 68238
- DTXSID
DTXSID50200659- ChEMBL
CHEMBL151604- ChEBI
CHEBI:42023- UNII
- X0Q8791R69
- EC Number
- 208-409-8
- Nikkaji
- J11.876A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesSchoenflies notation
LogP2.12
Vapor Pressure0.00288 [mmHg]
Physical DescriptionDark yellow powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 110 · 110-112 °C(lit.)
- Boiling point
- 251.67 °C · 251.67°C (rough estimate)
- Density
- 1.0326 · 1.0326 (rough estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
- storage temp.
- under inert gas (Argon)
- form
- powder to crystal
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Quinone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- GU5410000
- hs_code
- 29146990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
Chemistry & industry
Applications
UsesTetramethyl-1,4-benzoquinone is an antioxidant.
Additional notes
DefinitionChEBI: Duroquinone is a member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which all four hydrogens are substituted by methyl groups.
Related reactions
7 records
Compound notes
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