1-(5-Hydroxy-4-methoxy-2-methylphenyl)ethanone
Basic information
- CAS
6948-37-4- Standard SMILES
COc1cc(C)c(C(C)=O)cc1O- InChIKey
MFWHQNNQKUUWEX-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 1-(5-Hydroxy-4-methoxy-2-methylphenyl)ethanone
- IUPAC
- 1-(5-hydroxy-4-methoxy-2-methylphenyl)ethanone
- English name
- 1-(5-Hydroxy-4-methoxy-2-methylphenyl)ethanone
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
1-(5-hydroxy-4-methoxy-2-methylphenyl)ethanone6948-37-4DTXSID40288406RefChem:225772DTXCID80239553MFCD24714018NSC55764SCHEMBL28930588NSC-55764BS-48645E854621-(5-hydroxy-4-methoxy-2-methyl-phenyl)ethanone
Show more names
Ethanone, 1-(5-hydroxy-4-methoxy-2-methylphenyl)-
F7815281-(5-Hydroxy-4-methoxy-2-methylphenyl)ethan-1-one
Database identifiers
- CAS
6948-37-4- PubChem CID
- 244672
- DTXSID
DTXSID40288406
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 129 · 129–130°C
- Boiling point
- 344.8 · 344.8±42.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of acetic acid on creosol (2-methoxy-4-methylphenol) with boron trifluoride at 25° (88%).
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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