5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3h-1-benzofuran-2-one (CED0192011)

Record Information

Version

1.0

Creation Date

2026-08-22 03:51:38 UTC

Update Date

2026-08-22 03:51:38 UTC

SynCED ID

CED0192011

Secondary Accession Numbers

CHEM208884

Identification

Common Name

5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3h-1-benzofuran-2-one

Class

Small Molecule

Description

5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3h-1-benzofuran-2-one is an organic compound with the formula C24H30O2 and an average molecular weight of 350.50 g/mol. 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3h-1-benzofuran-2-one belongs to the 1-phenylcoumarans, a subclass of coumarans within the organic compounds. This organoheterocyclic compound is found in or released from one recorded source, which is electrical and electronic equipment specifically related to antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₄H₃₀O₂

Average Molecular Mass

350.500 g/mol

Monoisotopic Mass

350.225 g/mol

CAS Registry Number

164391-52-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C24H30O2/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25/h9-13,20H,1-8H3

InChI Key

CYHYIIFODCKQNP-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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
1248.0 Log mg/kg [700:2200]	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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
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	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000552	Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.	Food, food processing & cookware	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
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	PubChem
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	PubChem
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	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

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	NADPH--cytochrome P450 reductase	P16435	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.208 Low confidence Statistical Significance 9.00e-04 Supporting Reference Compounds 1 E-value 7.00643
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.217 Low confidence Statistical Significance 0.4855 Supporting Reference Compounds 226 E-value 3779.66
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.217 Low confidence Statistical Significance 0.4864 Supporting Reference Compounds 227 E-value 3786.59
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.213 Low confidence Statistical Significance 0.6775 Supporting Reference Compounds 472 E-value 5273.97
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.21 Low confidence Statistical Significance 0.481 Supporting Reference Compounds 136 E-value 3744.86
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.194 Low confidence Statistical Significance 0.6589 Supporting Reference Compounds 315 E-value 5129.41
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P12527	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.194 Low confidence Statistical Significance 0.3045 Supporting Reference Compounds 78 E-value 2370.66
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.6974 Supporting Reference Compounds 372 E-value 5429.05
Click to view 3D structure	Prostaglandin G/H synthase 2	Q05769	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.21 Low confidence Statistical Significance 0.2309 Supporting Reference Compounds 43 E-value 1797.69
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.25 Low confidence Statistical Significance 0.4897 Supporting Reference Compounds 90 E-value 3812.67
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-1	O95271	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.25 Low confidence Statistical Significance 0.517 Supporting Reference Compounds 94 E-value 4024.88
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.196 Low confidence Statistical Significance 0.9507 Supporting Reference Compounds 1158 E-value 7401.28
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.2 Low confidence Statistical Significance 0.7086 Supporting Reference Compounds 332 E-value 5516.71
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.191 Low confidence Statistical Significance 0.9403 Supporting Reference Compounds 906 E-value 7320.47
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.206 Low confidence Statistical Significance 0.5568 Supporting Reference Compounds 95 E-value 4334.49
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P34995	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.206 Low confidence Statistical Significance 0.5076 Supporting Reference Compounds 78 E-value 3951.94
Click to view 3D structure	Tyrosine-protein kinase FRK	P42685	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.197 Low confidence Statistical Significance 0.8916 Supporting Reference Compounds 422 E-value 6940.8
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.188 Low confidence Statistical Significance 0.7148 Supporting Reference Compounds 241 E-value 5564.9
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.192 Low confidence Statistical Significance 0.9426 Supporting Reference Compounds 869 E-value 7337.76
Click to view 3D structure	Serine/threonine-protein kinase Nek2	P51955	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.191 Low confidence Statistical Significance 0.9313 Supporting Reference Compounds 660 E-value 7250.02
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.186 Low confidence Statistical Significance 0.8783 Supporting Reference Compounds 308 E-value 6837.26
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.194 Low confidence Statistical Significance 0.7593 Supporting Reference Compounds 407 E-value 5911.48
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.188 Low confidence Statistical Significance 0.9691 Supporting Reference Compounds 1301 E-value 7544.21
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.188 Low confidence Statistical Significance 0.9693 Supporting Reference Compounds 1130 E-value 7546.0
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.197 Low confidence Statistical Significance 0.9545 Supporting Reference Compounds 1103 E-value 7430.4