(+)-A-methoxy-a-(trifluoromethyl)phenylacetic acid (CED0053476)

Record Information

Version

1.0

Creation Date

2026-04-05 00:02:46 UTC

Update Date

2026-08-18 06:29:28 UTC

Accession Number

CHEM085888

Identification

Common Name

(+)-A-methoxy-a-(trifluoromethyl)phenylacetic acid

Class

Small Molecule

Description

(+)-A-methoxy-a-(trifluoromethyl)phenylacetic acid is an organic compound with the formula C10H9F3O3 and an average molecular weight of 234.17 g/mol. (+)-A-methoxy-a-(trifluoromethyl)phenylacetic acid belongs to the benzylethers, a subclass of benzene and substituted derivatives within the organic compounds. This compound is found in or released from four recorded sources associated with electrical and electronic equipment, specifically including magnets, radio transmission systems, amplifiers, and cores yokes or armatures.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₉F₃O₃

Average Molecular Mass

234.174 g/mol

Monoisotopic Mass

234.050 g/mol

CAS Registry Number

56135-03-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

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

InChI Identifier

InChI=1/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)

InChI Key

JJYKJUXBWFATTE-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
965.0	Log mg/kg	[540:1700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
505	Amplifiers	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
594	Ship Hulls	Marine, shipping & aquaculture	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	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	5.91654
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	47.8773
Click to view 3D structure	Muscarinic acetylcholine receptor M1	Q8WMX0	Bos taurus	Predicted (SEA)	8.71911
Click to view 3D structure	Pancreatic alpha-amylase	P00689	Rattus norvegicus	Predicted (SEA)	3.11397
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	376.09
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	341.525
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	1900.3
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	536.693
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	8.32987
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	455.34
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	10.8989
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	432.53
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	35.3435
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	313.577
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	230.823
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	353.98
Click to view 3D structure	Transcription factor EB	P19484	Humans	Predicted (SEA)	19.5402
Click to view 3D structure	Glutathione S-transferase theta-1	Q01579	Rattus norvegicus	Predicted (SEA)	3.81461
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	6.38364
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	73.4118
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	199.294
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	326.422
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	118.175
Click to view 3D structure	Interleukin-36 gamma	Q9NZH8	Humans	Predicted (SEA)	1.40129
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	810.566