2-Methoxy-5-methyl-1,4-benzoquinone
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Basic information
- CAS
614-13-1- Standard SMILES
COC1=CC(=O)C(C)=CC1=O- InChIKey
VJVOAGLABGZRSL-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734411
Overview
2-methoxy-5-methyl-1,4-benzoquinone is a member of benzoquinones and a member of p-quinones.
Names & identifiers
- Preferred name
- 2-Methoxy-5-methyl-1,4-benzoquinone
- IUPAC
- 2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
- English name
- 2-methoxy-5-methyl-1,4-benzoquinone
- Molecular formula
- C8H8O3
- Molecular weight
- 152.15
Names & synonyms
2-Methoxy-5-methyl-1,4-benzoquinone614-13-12-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2-methoxy-5-methyl-65F6O8111VDTXSID50210314RefChem:878492-MMBQDTXCID50132805Coprinin4-Methoxytoluquinone5-Methoxy-p-toluquinone
Show more names
4-Methoxy-p-toluquinone2-methoxy-5-methyl-1,4-benzene2-Methoxy-5-methyl-p-benzoquinone2-Methoxy-5-methyl-2,5-cyclohexadiene-1,4-dione
4-Methoxy-2,5-toluquinone5-Methoxytoluquinone2-Methyl-5-methoxyquinone2-Methyl-5-methoxy-p-benzoquinoneP-BENZOQUINONE, 2-METHOXY-5-METHYL-NSC 3071NSC3071MFCD00034660
Database identifiers
- CAS
614-13-1- PubChem CID
- 11958
- DTXSID
DTXSID50210314- ChEMBL
CHEMBL2252964- ChEBI
CHEBI:203499- UNII
- 65F6O8111V
- EC Number
- 621-695-2
- Nikkaji
- J54.530I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- FDA UNII
- 65 F6O8111V · 65F6O8111V
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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