Ethyl 2-[4-[(6-chlorobenzothiazol-2-yl)oxy]phenoxy]propionate (CED0121121)

Record Information

Version

1.0

Creation Date

2026-04-05 01:02:00 UTC

Update Date

2026-08-19 23:17:58 UTC

Accession Number

CHEM087646

Identification

Common Name

Ethyl 2-[4-[(6-chlorobenzothiazol-2-yl)oxy]phenoxy]propionate

Class

Small Molecule

Description

Ethyl 2-[4-[(6-chlorobenzothiazol-2-yl)oxy]phenoxy]propionate is an organic compound with the formula C18H16ClNO4S and an average molecular weight of 377.84 g/mol. Ethyl 2-[4-[(6-chlorobenzothiazol-2-yl)oxy]phenoxy]propionate belongs to the 2-phenoxypropionic acid esters, a subclass of benzene and substituted derivatives within the organic compounds. The compound is found in or released from 12 recorded sources across several categories. In electrical and electronic equipment, it is associated with amplifiers, loudspeakers, selectors, television systems, and video games. Within building and construction, it is identified in fencing as well as stairs and ramps. It is also found in household items such as coins and watch chains, and in household cleaning and consumer products, specifically soap dispensers and pipe accessories. Additionally, the compound is linked to food, food processing and cookware, specifically in the preparation of wine or sparkling wine.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₁₆ClNO₄S

Average Molecular Mass

377.840 g/mol

Monoisotopic Mass

377.049 g/mol

CAS Registry Number

66441-11-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOC(=O)C(C)OC1=CC(OC2=NC3=C(S2)C=C(Cl)C=C3)=CC=C1

InChI Identifier

InChI=1/C18H16ClNO4S/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3

InChI Key

HVCNNTAUBZIYCG-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
1367.0	Log mg/kg	[770:2400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
496	Fencing	Building & Construction	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
532	Selectors	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
571	Coins	Household items	Not Available
577	Watch Chains	Household items	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
585	Canoes And Kayaks	Marine, shipping & aquaculture	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
622	Game Accessories	Recreation & sports surfaces	Not Available
625	Racing Sports	Recreation & sports surfaces	Not Available
627	Roulette Games	Recreation & sports surfaces	Not Available
630	Toys	Recreation & sports surfaces	Not Available
635	Buttons	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
655	Slide 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	Carbonic anhydrase	Q50565	Methanobacterium thermoautotrophicum	Predicted (SEA)	4.12601
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	121.99
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	67.0282
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	P35396	Mus musculus	Predicted (SEA)	10.1204
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	791.882
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	190.653
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P23204	Mus musculus	Predicted (SEA)	29.1935
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	116.462
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	1780.72
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	187.072
Click to view 3D structure	Casein kinase I isoform delta	P48730	Humans	Predicted (SEA)	1033.99
Click to view 3D structure	Caspase-3	P42574	Humans	Predicted (SEA)	178.275
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	2031.48
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	339.5
Click to view 3D structure	15-cis-phytoene desaturase	P26294	Synechococcus elongatus (strain PCC 7942) (Anacystis nidulans R2)	Predicted (SEA)	41.1044
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	1351.31
Click to view 3D structure	Sentrin-specific protease 8	Q96LD8	Humans	Predicted (SEA)	53.7938
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	2893.27
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	1913.14
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	1680.06
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	1106.32
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	278.467
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	1758.93
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	2437.3
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	1772.08