Basic information
- CAS
27465-51-6- Standard SMILES
CCC(=O)c1ccc(CC)cc1- InChIKey
VGQRIILEZYZAOE-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 1-(4-Ethylphenyl)propan-1-one
- IUPAC
- 1-(4-ethylphenyl)propan-1-one
- English name
- 4'-Ethylpropiophenone
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
1-(4-ethylphenyl)propan-1-one27465-51-6VGQRIILEZYZAOE-UHFFFAOYSA-DTXSID40342678RefChem:425423DTXCID00293758855-221-2InChI=1/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H34'-Ethylpropiophenone1-(4-Ethylphenyl)-1-propanoneMFCD001916464-Athylpropiophenon
Show more names
4-ETHYLPROPIOPHENONEINAP-0014'-Ethylpropiophenon4-CTHYLPROPLOPHENONEp-ethylphenylacetoneEperisone Impurity 5TheethylbenzeneacetoneAcetone for ethylbenzene
3sz9Ethyl 4-Ethylphenyl Ketone1-(4-Ethylphenyl)-1-propanone #p-EthylpropiophenoneDS-17932EN300-40806Q27461321Z285137084
Database identifiers
- CAS
27465-51-6- PubChem CID
- 583750
- DTXSID
DTXSID40342678- EC Number
- 855-221-2
- Nikkaji
- J68.574G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
SpringerMaterials PropertiesSound absorption
Physicochemical properties
- Boiling point
- 246 °C · 246 °C
- Density
- 0.98 · 0.98
- refractive index
- 1.522 · 1.5220-1.5260
- storage temp.
- Sealed in dry,Room Temperature
- Specific Gravity
- 0.98 · 0.98
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
- InChIKey
- VGQRIILEZYZAOE-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(CC)C=C1)(=O)CC
- CAS DataBase Reference
- 27465 · 27465-51-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29143990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H317-H412-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P273-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
Description4'-Ethylpropiophenone is a synthetic chemical that belongs to the class of piperidine hydrochloride. It emits light when it reacts with inorganic acid and has a constant for its wavelength. It is synthesized by the reaction of crambidae with molybdenum, which results in the formation of hydroxyl group and chloride. The compound can be dehydrated by reacting with hydroxyl group and chloride, which leads to its formation. 4'-Ethylpropiophenone has been shown to have an effect on lepidoptera larvae, acting as an insecticide, but has not been studied for effects on humans or other mammals.
UsesAn impurity of Eperisone (E565800) as muscle relaxant and analgesic.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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