1,2-Propanedione, 1-phenyl-, 2-(O-benzoyloxime) (CED0190515)

Record Information

Version

1.0

Creation Date

2026-04-03 15:55:00 UTC

Update Date

2026-08-19 14:30:41 UTC

SynCED ID

CED0190515

Secondary Accession Numbers

CHEM065777

Identification

Common Name

1,2-Propanedione, 1-phenyl-, 2-(O-benzoyloxime)

Class

Small Molecule

Description

1,2-Propanedione, 1-phenyl-, 2-(O-benzoyloxime) is an organic compound with the chemical formula C16H13N1O3 and an average molecular weight of 267.28 g/mol. 1,2-Propanedione, 1-phenyl-, 2-(O-benzoyloxime) belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This substance is associated with three recorded sources related to electrical and electronic equipment. Specifically, it is found in or released from antennas, electric hearing aids, and thin magnetic films.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₁₃N₁O₃

Average Molecular Mass

267.284 g/mol

Monoisotopic Mass

267.090 g/mol

CAS Registry Number

17292-57-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=NOC(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C16H13NO3/c1-12(15(18)13-8-4-2-5-9-13)17-20-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-12+

InChI Key

ZNZDJSGUWLGTLA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Benzoic acids and derivatives

Alternative Parents

Substituents

Benzoic acid or derivatives
Phenylpropane
Benzoyl
Aryl ketone
Oximester
Carboxylic acid salt
Ketone
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxygen compound
Organic salt
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2735.0 Log mg/kg [1500:4900]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	Not Available
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	Not Available
CEDs000516	Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.	Electrical & Electronic Equipment	Not Available
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	Not Available
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	Not Available
CEDs000538	Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.	Electrical & Electronic Equipment	Not Available
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	Not Available
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.5 Statistical Significance 0.0016 Supporting Reference Compounds 114 E-value 12.7673
Click to view 3D structure	Krueppel-like factor 5	Q13887	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.5 Statistical Significance 4.10e-04 Supporting Reference Compounds 42 E-value 3.19182
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 0.464 Statistical Significance 4.30e-04 Supporting Reference Compounds 40 E-value 3.34752
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.335 Applicability Domain 0.5 Statistical Significance 0.0019 Supporting Reference Compounds 166 E-value 14.48
Click to view 3D structure	Liver carboxylesterase 1	P12337	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.331 Applicability Domain 0.464 Statistical Significance 6.00e-05 Supporting Reference Compounds 9 E-value 0.467095
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.464 Statistical Significance 0.0019 Supporting Reference Compounds 55 E-value 14.8692
Click to view 3D structure	Tumor necrosis factor	P01375	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.5 Statistical Significance 0.0031 Supporting Reference Compounds 81 E-value 24.2111
Click to view 3D structure	Nucleotide-binding oligomerization domain-containing protein 1	Q9Y239	Humans	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.5 Statistical Significance 0.005 Supporting Reference Compounds 49 E-value 38.9246
Click to view 3D structure	Lipoprotein lipase	P11152	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.309 Statistical Significance 5.90e-04 Supporting Reference Compounds 1 E-value 4.5931
Click to view 3D structure	Serine hydrolase RBBP9	O75884	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.5 Statistical Significance 2.00e-05 Supporting Reference Compounds 4 E-value 0.155698
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM10	P87108	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.347 Statistical Significance 0.0017 Supporting Reference Compounds 64 E-value 13.5458
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.324 Statistical Significance 0.0388 Supporting Reference Compounds 332 E-value 302.444
Click to view 3D structure	Sortase A	Q8CM62	Streptococcus mutans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.289 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.492
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.333 Statistical Significance 0.0098 Supporting Reference Compounds 75 E-value 76.2922
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.297 Low confidence Statistical Significance 0.077 Supporting Reference Compounds 472 E-value 599.673
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.297 Low confidence Statistical Significance 0.0634 Supporting Reference Compounds 407 E-value 493.331
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.297 Low confidence Statistical Significance 0.0636 Supporting Reference Compounds 372 E-value 494.81
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.367 Statistical Significance 0.0013 Supporting Reference Compounds 12 E-value 10.4318
Click to view 3D structure	Lignostilbene alpha, beta-dioxygenase	O87171	Sphingomonas paucimobilis	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.275 Low confidence Statistical Significance 5.80e-04 Supporting Reference Compounds 1 E-value 4.51525
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.464 Statistical Significance 8.20e-04 Supporting Reference Compounds 20 E-value 6.38364
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.324 Statistical Significance 0.1524 Supporting Reference Compounds 553 E-value 1186.66
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.308 Statistical Significance 0.0419 Supporting Reference Compounds 296 E-value 325.955
Click to view 3D structure	Coagulation factor XII	P00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.308 Statistical Significance 0.0353 Supporting Reference Compounds 73 E-value 275.119
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.341 Statistical Significance 0.0422 Supporting Reference Compounds 203 E-value 328.446
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.354 Statistical Significance 0.0357 Supporting Reference Compounds 118 E-value 277.844