1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester (CED0165548)

Record Information

Version

1.0

Creation Date

2026-04-04 06:43:04 UTC

Update Date

2026-08-17 21:46:51 UTC

SynCED ID

CED0165548

Secondary Accession Numbers

CHEM072380

Identification

Common Name

1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester

Class

Small Molecule

Description

1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester is an organic compound with the formula C10H10O5 and an average molecular weight of 210.19 g/mol. 1,3-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound is found in or released from one recorded source: food, food processing & cookware (food contact materials). Recorded exposure routes for this substance include inhalation, oral, and touch.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₀O₅

Average Molecular Mass

210.185 g/mol

Monoisotopic Mass

210.053 g/mol

CAS Registry Number

5985-24-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC(=O)C1=CC=C(O)C(=C1)C(=O)OC

InChI Identifier

InChI=1S/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3

InChI Key

ALBUJVBOIXVVLS-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
2511.0 Log mg/kg [1400:4500]	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
CEDs000494	Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.	Food, food processing & cookware	Not Available
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	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

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	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.418 Applicability Domain 0.714 Statistical Significance 0.0045 Supporting Reference Compounds 372 E-value 34.7986
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.418 Applicability Domain 0.714 Statistical Significance 0.0057 Supporting Reference Compounds 472 E-value 44.7633
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.418 Applicability Domain 0.714 Statistical Significance 0.0027 Supporting Reference Compounds 242 E-value 20.9414
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.418 Applicability Domain 0.714 Statistical Significance 0.0042 Supporting Reference Compounds 332 E-value 32.6188
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.418 Applicability Domain 0.714 Statistical Significance 0.0052 Supporting Reference Compounds 407 E-value 40.5594
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.416 Applicability Domain 0.714 Statistical Significance 0.002 Supporting Reference Compounds 172 E-value 15.4141
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.382 Applicability Domain 0.714 Statistical Significance 0.0052 Supporting Reference Compounds 215 E-value 40.3259
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.409 Statistical Significance 0.006 Supporting Reference Compounds 343 E-value 47.0209
Click to view 3D structure	HTH-type transcriptional regulator MgrA	P0C1S0	Staphylococcus aureus	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 2.30e-04 Supporting Reference Compounds 1 E-value 1.79053
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.33 Applicability Domain 0.375 Statistical Significance 0.0065 Supporting Reference Compounds 151 E-value 50.5241
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.354 Statistical Significance 0.0076 Supporting Reference Compounds 182 E-value 58.854
Click to view 3D structure	Small ubiquitin-related modifier 1	P63165	Humans	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.375 Statistical Significance 0.0017 Supporting Reference Compounds 95 E-value 13.0787
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.375 Statistical Significance 0.0099 Supporting Reference Compounds 193 E-value 76.9929
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P12527	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.381 Statistical Significance 0.0047 Supporting Reference Compounds 78 E-value 36.4334
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.34 Statistical Significance 0.0543 Supporting Reference Compounds 497 E-value 422.566
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.356 Statistical Significance 0.0171 Supporting Reference Compounds 425 E-value 133.434
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.354 Statistical Significance 0.0035 Supporting Reference Compounds 75 E-value 27.4808
Click to view 3D structure	Histone deacetylase 8	A5H660	Schistosoma mansoni	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.34 Statistical Significance 0.0042 Supporting Reference Compounds 17 E-value 32.9302
Click to view 3D structure	Stromal cell-derived factor 1	P48061	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.319 Statistical Significance 0.0012 Supporting Reference Compounds 9 E-value 9.49761
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.333 Statistical Significance 0.0174 Supporting Reference Compounds 126 E-value 135.458
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.333 Statistical Significance 0.0326 Supporting Reference Compounds 315 E-value 253.866
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.381 Statistical Significance 0.0071 Supporting Reference Compounds 226 E-value 55.3508
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.381 Statistical Significance 0.0071 Supporting Reference Compounds 227 E-value 55.3508
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.354 Statistical Significance 0.1277 Supporting Reference Compounds 1301 E-value 994.135
Click to view 3D structure	Dual specificity protein phosphatase 3	P51452	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.409 Statistical Significance 0.0049 Supporting Reference Compounds 147 E-value 38.0683