Basic information
- CAS
89-74-7- Standard SMILES
CC(=O)c1ccc(C)cc1C- InChIKey
HSDSKVWQTONQBJ-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Overview
2',4'-Dimethylacetophenone is an aromatic ketone.
Names & identifiers
- Preferred name
- 2,4-Dimethylacetophenone
- IUPAC
- 1-(2,4-dimethylphenyl)ethanone
- English name
- 2',4'-Dimethylacetophenone
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
2',4'-Dimethylacetophenone89-74-72,4-DimethylacetophenoneAcetyl-m-xyleneEthanone, 1-(2,4-dimethylphenyl)-1-(2,4-Dimethylphenyl)ethan-1-oneAcetophenone, 2',4'-dimethyl-FEMA No. 2387Methyl 2,4-dimethylphenyl ketone8K29ME27YAEINECS 201-935-9NSC 15333
Show more names
1-(2,4-dimethylphenyl)-EthanoneFEMA 2387ASISCHEM D292574-ACETYL-M-XYLENE4-Acetyl-m-xyletnDiMethylacetophenonePiribedil Impurity 20
NSC-15333AI3-208012,4-DIMETHYLACETOPHENONE [FHFI]RefChem:443769Methyl 2,4 dimethylphenyl ketone201-935-91-(2,4-DIMETHYLPHENYL)ETHANONE2,4-dimethylacetophenon
Database identifiers
- CAS
89-74-7- PubChem CID
- 6985
- DTXSID
DTXSID9058997- ChEMBL
CHEMBL541939
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.993-0.999
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
117.00 to 118.00 °C. @ 18.00 mm Hg
228 °C
Refractive Index1.532-1.536
Physical Descriptioncolourless to slightly yellow oily liquid with a sweet, floral, woody, minty odour
Physicochemical properties
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 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(2,4-dimethylphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanone, 1-(2,4-dimethylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29143990
- risk_code
- 36-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant/Harmful
- safety_code
- 39-26-24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationEthanone, 1-(2,4-dimethylphenyl)-: INACTIVE
Applications
OccurrenceReported found in cinnamon bark, wine, tea, watercress and dried bonito.
Uses2',4'-DIMETHYLACETOPHENONE (cas# 89-74-7) is a useful research chemical. This compound can be used to detect aldosterone aroma in tobacco compounds using Gas Chromatography. It can also be used for protecting food products.
Preparation methods
PreparationBy condensation of acetylchloride and m-xylene in the presence of aluminum chloride or in the presence of ferric chloride
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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