4-(3,4-dicarboxybenzoyl)phthalic acid (CED0137896)

Record Information

Version

1.0

Creation Date

2026-08-19 18:15:00 UTC

Update Date

2026-08-19 18:15:00 UTC

Accession Number

CHEM191105

Identification

Common Name

4-(3,4-dicarboxybenzoyl)phthalic acid

Class

Small Molecule

Description

4-(3,4-dicarboxybenzoyl)phthalic acid (C17H10O9) is an organic compound with an average molecular weight of 358.30 g/mol. 4-(3,4-dicarboxybenzoyl)phthalic acid belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. This compound is identified as being found in or released from 12 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, amplifiers, communication cables or conductors, coils, auxiliary devices, and six additional sources. Additionally, it is found in household cleaning and consumer products, specifically cigar cigarettes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₁₀O₉

Average Molecular Mass

358.300 g/mol

Monoisotopic Mass

358.032 g/mol

CAS Registry Number

2479-49-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C17H10O9/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)

InChI Key

UITKHKNFVCYWNG-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
6753.0	Log mg/kg	[3800:12000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
532	Selectors	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	107.121
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	79.6398
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	93.3412
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	90.0715
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	59.7104
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	42.2721
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	33.3973
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	47.5659
Click to view 3D structure	HTH-type transcriptional regulator MgrA	P0C1S0	Staphylococcus aureus	Predicted (SEA)	1.24559
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	30.6726
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	70.4535
Click to view 3D structure	Carbonic anhydrase	Q2PCB5	Dicentrarchus labrax	Predicted (SEA)	1.08989
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	62.5908
Click to view 3D structure	Insulin-like growth factor-binding protein 6	P24592	Humans	Predicted (SEA)	0.778492
Click to view 3D structure	Insulin-like growth factor-binding protein 1	P08833	Humans	Predicted (SEA)	0.778492
Click to view 3D structure	Insulin-like growth factor-binding protein 4	P22692	Humans	Predicted (SEA)	0.778492
Click to view 3D structure	Insulin-like growth factor-binding protein 2	P18065	Humans	Predicted (SEA)	0.778492
Click to view 3D structure	p-hydroxybenzoate hydroxylase	P00438	Pseudomonas fluorescens	Predicted (SEA)	18.2167
Click to view 3D structure	3-hydroxyanthranilate 3,4-dioxygenase	P46952	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	3-hydroxyanthranilate 3,4-dioxygenase	P46953	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Complement factor D	P32038	Rattus norvegicus	Predicted (SEA)	1.94623
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	37.679
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	3.19182
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	1.79053
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	26.6244