4-Propanoylanisole
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Basic information
- CAS
121-97-1- Standard SMILES
CCC(=O)c1ccc(OC)cc1- InChIKey
ZJVAWPKTWVFKHG-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
P-Methoxypropiophenone is an aromatic ketone.
Names & identifiers
- Preferred name
- 4-Propanoylanisole
- IUPAC
- 1-(4-methoxyphenyl)propan-1-one
- English name
- Methoxypropiophenone
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
4'-Methoxypropiophenone121-97-1p-Methoxypropiophenone1-Propanone, 1-(4-methoxyphenyl)-Propiophenone, 4'-methoxy-1-(4-Methoxyphenyl)-1-propanoneEthyl 4-methoxyphenyl ketone4-PropanoylanisoleV4W5HX9O2DETHYL P-METHOXYPHENYL KETONEEINECS 204-512-7NSC 11834
Show more names
4-METHOXYPROPIOPHENONEpara-methoxypropiophenone4-PROPIONYLANISOLEmethoxypropiophenonep-Methoxypropiophenon4-Methxyphenyl acetone
NSC-11834AI3-04094DTXSID0059536PROPIOPHENONE, P-METHOXY-EC 204-512-71-METHOXY-4-PROPANOYLBENZENE1-PROPANOYL-4-METHOXYBENZENERefChem:526553
Database identifiers
- CAS
121-97-1- PubChem CID
- 67144
- DTXSID
DTXSID0059536- ChEMBL
CHEMBL444556- ChEBI
CHEBI:167420- UNII
- V4W5HX9O2D
- EC Number
- 204-512-7
- Nikkaji
- J60.315E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 23 °C · 23 °C
- Boiling point
- 275 °C · 275 °C
- Density
- 0.937 g/mL · 0.937 g/mL at 25 °C (lit.)
- refractive index
- 1.55 · 1.55
- Flash point
- 61 °C · 61 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Yellow
- Specific Gravity
- 0.937 · 0.937
- Odor
- 1 % · at 1.00 % in dipropylene glycol. musty anisic
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
Danger
H228 (66.7%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanone, 1-(4-methoxyphenyl)-
Status: Active Update: 29-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5905
Other Safety InformationIMAP assessments - 1-Propanone, 1-(4-methoxyphenyl)-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Sol. 2 (66.7%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2914509090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- hazard_class
- 4.1
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanone, 1-(4-methoxyphenyl)-: INACTIVE
Applications
Uses4''-Methoxypropiophenone is a compound useful in organic synthesis.
Preparation methods
PreparationPreparation by reaction of ethylmagnesium bromide with p-methoxybenzonitrile (95%).
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: P-Methoxypropiophenone is an aromatic ketone.
Related reactions
42 records
Compound notes
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