Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H8O |
| Molecular Weight | 120.1485 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)C1=CC=CC=C1
InChI
InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
| Molecular Formula | C8H8O |
| Molecular Weight | 120.1485 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Acetophenone is an organic compound with major use in the chemical industry for the polymerization of olefins, and organic synthesis as a photosensitizer and as a specialty solvent for plastics and resins. It is also a chemical intermediate for the odorant ethyl methyl phenylglycidate, the riot control agent 2-chloroacetophenone and 2- bromoacetophenone for dyes. It is used in the manufacture of pharmaceuticals, rubber, dyes, and corrosion inhibitors. Acetophenone was approved by the FDA as a flavoring substance and adjuvant in food. It is used as a flavoring agent in non-alcoholic beverages, ice cream, candy, baked goods, gelatins, puddings, tobacco, and chewing gum. It is used to impart an orange-blossom fragrance in soaps, detergents, creams, lotions, and perfumes.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| An enzymatic assay for poly(ADP-ribose) polymerase-1 (PARP-1) via the chemical quantitation of NAD(+): application to the high-throughput screening of small molecules as potential inhibitors. | 2004-03-01 |
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| Application of the measurement of oxidized pyridine dinucleotides with high-performance liquid chromatography-fluorescence detection to assay the uncoupled oxidation of NADPH by neuronal nitric oxide synthase. | 2004-03-01 |
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| New chiral ruthenium(II) catalysts containing 2,6-bis(4'-(R)-phenyloxazolin-2'-yl)pyridine (Ph-pybox) ligands for highly enantioselective transfer hydrogenation of ketones. | 2004-01-23 |
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| Combined application of stable carbon isotope analysis and specific metabolites determination for assessing in situ degradation of aromatic hydrocarbons in a tar oil-contaminated aquifer. | 2004-01-15 |
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| The role of proton donors in SmI2-mediated ketone reduction: new mechanistic insights. | 2004-01-14 |
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| Highly enantioselective ruthenium-catalyzed reduction of ketones employing readily available Peptide ligands. | 2004-01-05 |
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| ent-Clerodane diterpenes and other constituents from the liverwort Adelanthus lindenbergianus (Lehm.) Mitt. | 2004-01 |
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| Novel 3,3a,4,5,6,7-hexahydroindazole and arylthiazolylpyrazoline derivatives as anti-inflammatory agents. | 2003-12 |
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| Mechanism of asymmetric hydrogenation of ketones catalyzed by BINAP/1,2-diamine-rutheniumII complexes. | 2003-11-05 |
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| Dendritic stability in the adult olfactory bulb. | 2003-11 |
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| Hydrogenation versus transfer hydrogenation of ketones: two established ruthenium systems catalyze both. | 2003-10-17 |
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| Employing the structural diversity of nature: development of modular dipeptide-analogue ligands for ruthenium-catalyzed enantioselective transfer hydrogenation of ketones. | 2003-09-05 |
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| A linear sesterterpene, two squalene derivatives and two peptide derivatives from Croton hieronymi. | 2003-09 |
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| Sterically congested tripodal phosphites: conformational analysis, solid-state polymorphism, metal complexation, and application to the asymmetric hydrosilation of ketones. | 2003-08-25 |
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| Qualitative and quantitative solid-phase microextraction gas chromatographic-mass spectrometric determination of the low-molecular-mass compounds released from poly(vinyl chloride)/polycaprolactone-polycarbonate during ageing. | 2003-08-22 |
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| Quantum mechanical study of stereoselectivity in the oxazaborolidine-catalyzed reduction of acetophenone. | 2003-08-20 |
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| Ketonization of incarcerated acetophenone enol. | 2003-08-13 |
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| Is logP a convenient criterion to guide the choice of solvents for biphasic enzymatic reactions? | 2003-07-07 |
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| Association properties of ethylene oxide/styrene oxide diblock copolymer E17S8 in aqueous solution. | 2003-07-01 |
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| Two-photon photoacoustic calorimetry and the absolute measurement of molar absorption coefficients of transient species in solution. | 2003-07 |
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| Acetophenone derivatives from Acronychia pedunculata. | 2003-07 |
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| Bhc-diol as a photolabile protecting group for aldehydes and ketones. | 2003-06-12 |
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| Synthesis and characterization of cobalt(III) complexes containing 2-pyridinecarboxamide ligands and their application in catalytic oxidation of ethylbenzene with dioxygen. | 2003-06-07 |
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| Electrochemical radiofluorination. Part 2. Anodic monofluorination of substituted benzenes using [18F]fluoride. | 2003-06 |
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| DNA damage by ethylbenzenehydroperoxide formed from carcinogenic ethylbenzene by sunlight irradiation. | 2003-05-16 |
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| Cytotoxicity of some azines of acetophenone derived mono-Mannich bases against Jurkat cells. | 2003-05 |
|
| Biotransformation of aliphatic and aromatic ketones, including several monoterpenoid ketones and their derivatives by five species of marine microalgae. | 2003-05 |
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| Compositional and structural variety of diphenyllead(IV) complexes obtained by reaction of diphenyllead dichloride with thiosemicarbazones. | 2003-04-21 |
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| Syntheses of 2-substituted indoles and fused indoles by photostimulated reactions of o-iodoanilines with carbanions by the SRN1 mechanism. | 2003-04-04 |
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| Effects of anti-ecdysteroid quaternary derivatives of azole analogues of metyrapone on the post-embryonic development of the red cotton bug (Dysdercus cingulatus F). | 2003-04 |
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| Synthesis, structure, and spectroscopic, photochemical, redox, and catalytic properties of ruthenium(II) isomeric complexes containing dimethyl sulfoxide, chloro, and the dinucleating bis(2-pyridyl)pyrazole ligands. | 2003-03-24 |
|
| The crystal structure of R-specific alcohol dehydrogenase from Lactobacillus brevis suggests the structural basis of its metal dependency. | 2003-03-21 |
|
| Remarkably favorable hydration of carbonyl substituents in dicationic bis(arene) ruthenium complexes. | 2003-02-05 |
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| A new dual inhibitor of arachidonate metabolism isolated from Helichrysum italicum. | 2003-01-24 |
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| Synthesis and evaluation of N,S-compounds as chiral ligands for transfer hydrogenation of acetophenone. | 2003-01-21 |
|
| Efficient large scale microwave assisted Mannich reactions using substituted acetophenones. | 2003 |
|
| Mechanism of the hydrogenation of ketones catalyzed by trans-dihydrido(diamine)ruthenium II complexes. | 2002-12-18 |
|
| Analytical performance of a miniature cylindrical ion trap mass spectrometer. | 2002-12-15 |
|
| Synthesis and antimalarial activity of some new 1,2-dioxolane derivatives. | 2002-12 |
|
| Synthesis of some new bis-thiazoles as possible anticancer agents. | 2002-12 |
|
| Effects of polyunsaturated fatty acids on voltage-gated K+ and Na+ channels in rat olfactory receptor neurons. | 2002-12 |
|
| Genes involved in the anaerobic degradation of ethylbenzene in a denitrifying bacterium, strain EbN1. | 2002-12 |
|
| Characterization of a binding site for template competitive inhibitors of HIV-1 reverse transcriptase using photolabeling derivatives. | 2002-12 |
|
| Model compound studies of the beta-O-4 linkage in lignin: absolute rate expressions for beta-scission of phenoxyl radical from 1-phenyl-2-phenoxyethanol-1-yl radical. | 2002-11-15 |
|
| Relationship between strength of organic sorbate interactions in NOM and hydration effect on sorption. | 2002-11-01 |
|
| Direct suppression by odorants of ionotropic glutamate receptors in newt retinal neurons. | 2002-11 |
|
| A hybrid microdevice for electrophoresis and electrochromatography using UV detection. | 2002-10 |
|
| Improved synthesis of chalcones under ultrasound irradiation. | 2002-10 |
|
| Synthesis and evaluation of anticonvulsant activities of some bis Mannich bases and corresponding piperidinols. | 2002 |
|
| Cytotoxic activities of some mono and bis Mannich bases derived from acetophenone in brine shrimp bioassay. | 2002 |
Patents
| Substance Class |
Chemical
Created
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admin
on
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Mon Mar 31 17:35:43 GMT 2025
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Mon Mar 31 17:35:43 GMT 2025
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| Record UNII |
RK493WHV10
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| Record Status |
Validated (UNII)
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CFR |
21 CFR 172.515
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JECFA EVALUATION |
ACETOPHENONE
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EPA PESTICIDE CODE |
129033
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C77447
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98-86-2
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ACETOPHENONE
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RK493WHV10
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7410
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732
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m1341
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98542
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SUB170992
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DB04619
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RK493WHV10
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27632
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C038699
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2467143
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969
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DTXSID6021828
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100000160041
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C45678
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CONCEPT | Industrial Aid |