4'-Ethylacetophenone
Basic information
- CAS
937-30-4- Standard SMILES
CCc1ccc(C(C)=O)cc1- InChIKey
NODGRWCMFMEGJH-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Overview
P-Ethylacetophenone is an aromatic ketone.
Names & identifiers
- Preferred name
- 4'-Ethylacetophenone
- IUPAC
- 1-(4-ethylphenyl)ethanone
- English name
- 4-Ethylacetophenone
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
4'-Ethylacetophenone4-ETHYLACETOPHENONEp-EthylacetophenoneEthanone, 1-(4-ethylphenyl)-Acetophenone, 4'-ethyl-p-Acetylethylbenzenep-Ethylphenyl methyl ketone1-acetyl-4-ethylbenzeneLSA7B53YDONSC 6768NSC-6768EINECS 213-326-5
Show more names
ASISCHEM D29258AKOS BBS-000043944ETHYL ACTOPHENONE4-ETHYL-1-ACETYLBENZENE
UNII-LSA7B53YDOAI3-08507DTXSID5061326RefChem:95976DTXCID6048880Acetophenone, 4'-ethyl-(8CI)NODGRWCMFMEGJH-UHFFFAOYSA-N937-30-4
Database identifiers
- CAS
937-30-4- PubChem CID
- 13642
- DTXSID
DTXSID5061326- ChEBI
CHEBI:195891- UNII
- LSA7B53YDO
- EC Number
- 213-326-5
- Nikkaji
- J30.876E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 20.6 °C · −20.6 °C(lit.)
- Boiling point
- 125 °C20 · 125 °C20 mm Hg(lit.)
- Density
- 0.993 g/mL · 0.993 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5293(lit.)
- Flash point
- 195 °F · 195 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Clear Colourless
- Specific Gravity
- 0.993 · 0.993
- Odor
- 1 % · at 1.00 % in dipropylene glycol. floral hawthorn
- Odor Type
- floral
- Water Solubility
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(4-ethylphenyl)-
Ethanone, 1-(4-ethylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanone, 1-(4-ethylphenyl)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29143990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(4-ethylphenyl)-: INACTIVE
Applications
UsesIt can be used to produce 1,1'-p-phenylene-bis-ethanone. This reaction will need reagent air, cobalt naphthenate. The reaction temperature is 125°C.
UsesIntermediates of Liquid Crystals
General Description4-Ethylacetophenone is one of the attractive components of a carob-peanut extract that elicited a positive behavioral response from Oryzaephilus surinamensis, S. granarius and C. ferrugineus.
Upstream & downstream products
Upstream raw materials
Related reactions
15 records
Compound notes
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