1-(4-Methoxyphenyl)-2,2-dimethylpropan-1-one
Basic information
- CAS
2040-26-8- Standard SMILES
COc1ccc(C(=O)C(C)(C)C)cc1- InChIKey
IJSLNFBUJUTKGK-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-2,2-dimethylpropan-1-one
- IUPAC
- 1-(4-methoxyphenyl)-2,2-dimethylpropan-1-one
- English name
- 1-(4-methoxyphenyl)-2,2-dimethyl-propan-1-one
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
2040-26-81-(4-methoxyphenyl)-2,2-dimethylpropan-1-oneDTXSID10306560RefChem:1054423DTXCID902576872,2-Dimethyl-4'-methoxypropiophenone1-propanone, 1-(4-methoxyphenyl)-2,2-dimethyl-MFCD038411661-Propanone,1-(4-methoxyphenyl)-2,2-dimethyl-1-(4-METHOXYPHENYL)-2,2-DIMETHYL-PROPAN-1-ONEtert-Butyl 4-methoxyphenyl ketone4-Methoxyphenyl tert-butyl ketone
Show more names
p-methoxypivalophenone1-Propanone,2-dimethyl-Propiophenone,2-dimethyl-SCHEMBL757101CAA04026NSC1774734'-Methoxy-2,2-dimethylpropiophenoneAKOS009347318
Database identifiers
- CAS
2040-26-8- PubChem CID
- 301183
- DTXSID
DTXSID10306560- Nikkaji
- J767.110E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 138 · 138-140 °C(Press: 8 Torr)
- Density
- 0.988 · 0.988±0.06 g/cm3(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-P332+P313-P337+P313-P362-P403+P233-P405-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
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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