2,3,5,6-Tetramethyl-benzoic acid methyl ester
Basic information
- CAS
22524-51-2- Standard SMILES
COC(=O)c1c(C)c(C)cc(C)c1C- InChIKey
GMSOGDJHFPQOBM-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 2,3,5,6-Tetramethyl-benzoic acid methyl ester
- IUPAC
- methyl 2,3,5,6-tetramethylbenzoate
- English name
- 2,3,5,6-Tetramethyl-benzoic acid methyl ester
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
2,3,5,6-tetramethyl-benzoic acid methyl esterRefChem:441810652-090-1methyl 2,3,5,6-tetramethylbenzoate22524-51-2NSC409542DTXSID10325276AKOS022859315NSC-4095422,3,5,6-(CH3)4-C6H-COOCH3Benzoic acid, 2,3,5,6-tetramethyl-, methyl ester
Database identifiers
- CAS
22524-51-2- PubChem CID
- 349701
- DTXSID
DTXSID10325276- EC Number
- 652-090-1
- Nikkaji
- J3.277.522E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 274 · 274.0±9.0 °C(Predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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