4-butoxycarbonylbenzoic acid (CED0084750)

Record Information

Version

1.0

Creation Date

2026-08-18 17:58:37 UTC

Update Date

2026-08-18 17:58:37 UTC

Accession Number

CHEM165137

Identification

Common Name

4-butoxycarbonylbenzoic acid

Class

Small Molecule

Description

4-butoxycarbonylbenzoic acid is an organic compound with the chemical formula C12H14O4 and an average molecular weight of 222.24 g/mol. 4-butoxycarbonylbenzoic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified as part of the benzenoids superclass. This compound has been identified in or released from five recorded sources. These sources include electrical and electronic equipment, specifically antennas, electric switches, emergency protective devices, power cables, and video games.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₄O₄

Average Molecular Mass

222.240 g/mol

Monoisotopic Mass

222.089 g/mol

CAS Registry Number

1818-06-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)

InChI Key

QLUQHFODHZKSDT-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
2867.0	Log mg/kg	[1600:5100]	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
506	Antennas	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
656	Snap Fasteners	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	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	0.233548
Click to view 3D structure	Cyclic nucleotide-gated channel alpha-1	Q00194	Bos taurus	Predicted (SEA)	0.0778492
Click to view 3D structure	Cytosolic phospholipase A2 beta	P0C869	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	Organic anion transporter 3	O88909	Mus musculus	Predicted (SEA)	1.08989
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	53.4824
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	71.1542
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	52.5482
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	62.1237
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	44.3741
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	31.0618
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 3	Q8K424	Mus musculus	Predicted (SEA)	11.5217
Click to view 3D structure	Squalene monooxygenase	P52020	Rattus norvegicus	Predicted (SEA)	0.700643
Click to view 3D structure	Retinoic acid receptor beta	P10826	Humans	Predicted (SEA)	5.83869
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	229.655
Click to view 3D structure	Equilibrative nucleoside transporter 2	O54699	Rattus norvegicus	Predicted (SEA)	4.20386
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	47.8773
Click to view 3D structure	Cytosolic phospholipase A2	P47712	Humans	Predicted (SEA)	2.41333
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	36.667
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	68.1181
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	101.36
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	17.5939
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	63.4471
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	361.765
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	455.496
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	86.4126