2-Hydroxy-4-methylacetophenone
Basic information
- CAS
4079-54-3- Standard SMILES
Cc1ccc(C(=O)CO)cc1- InChIKey
BFOWHGYYZRTDOV-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methylacetophenone
- IUPAC
- 2-hydroxy-1-(4-methylphenyl)ethanone
- English name
- 2-HYDROXY-1-(4-METHYLPHENYL)ETHANONE
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
RefChem:9098922-hydroxy-4-methylacetophenone4079-54-32-HYDROXY-1-(4-METHYLPHENYL)ETHANONE2-Hydroxy-4'-methylacetophenoneMFCD07778990Ethanone,2-hydroxy-1-(4-methylphenyl)-2-hydroxy-1-(4-methylphenyl)ethan-1-onep-methylbenzoylmethanolNSC2498132-hydroxy-1-p-tolyl-ethanoneSCHEMBL1267288
Show more names
SCHEMBL38927312-hydroxy-1-(p-tolyl)-ethanoneDTXSID10312106EAA079542-Hydroxy-1-(p-tolyl)ethan-1-oneAC6089AKOS009115107NSC 249813
Database identifiers
- CAS
4079-54-3- PubChem CID
- 317549
- DTXSID
DTXSID10312106- Nikkaji
- J673.814A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 89 · 89-89.5 °C
- Boiling point
- 269.9 · 269.9±15.0 °C(Predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- pka
- 12.83 · 12.83±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- HS Code
- 2914409000 · 2914409000
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
- hs_code
- 2914409000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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