2-Ethoxy-3-methoxybenzaldehyde (CED0187243)

Record Information

Version

1.0

Creation Date

2026-04-04 10:40:23 UTC

Update Date

2026-05-20 19:05:19 UTC

SynCED ID

CED0187243

Secondary Accession Numbers

CHEM073706

Identification

Common Name

2-Ethoxy-3-methoxybenzaldehyde

Class

Small Molecule

Description

2-Ethoxy-3-methoxybenzaldehyde is an organic compound with the formula C10H12O3 and an average molecular weight of 180.20 g/mol. 2-Ethoxy-3-methoxybenzaldehyde belongs to the benzoyl 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 one recorded source: indoor air, specifically within air, dust, and atmospheric transport. The recorded route of exposure for this substance is inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₂O₃

Average Molecular Mass

180.203 g/mol

Monoisotopic Mass

180.079 g/mol

CAS Registry Number

66799-97-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOC1=C(C=O)C=CC=C1OC

InChI Identifier

InChI=1S/C10H12O3/c1-3-13-10-8(7-11)5-4-6-9(10)12-2/h4-7H,3H2,1-2H3

InChI Key

DMPUNCUVRGJYGL-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
2605.0 Log mg/kg [1500:4600]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000019	Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.	Air, dust & atmospheric transport	Not Available

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	Transcription factor EB	P19484	Humans	Predicted (SEA)	Prediction Confidence Score 0.375 Applicability Domain 0.375 Statistical Significance 2.20e-04 Supporting Reference Compounds 1 E-value 1.71268
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.345 Statistical Significance 0.0319 Supporting Reference Compounds 541 E-value 248.65
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.345 Statistical Significance 0.0243 Supporting Reference Compounds 376 E-value 189.329
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.345 Statistical Significance 0.0179 Supporting Reference Compounds 298 E-value 139.506
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.345 Statistical Significance 0.0173 Supporting Reference Compounds 258 E-value 134.835
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.345 Statistical Significance 0.0189 Supporting Reference Compounds 208 E-value 147.135
Click to view 3D structure	Alpha-1B adrenergic receptor	P15823	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.345 Statistical Significance 0.0102 Supporting Reference Compounds 130 E-value 79.7176
Click to view 3D structure	Alpha-1D adrenergic receptor	P23944	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.345 Statistical Significance 0.0074 Supporting Reference Compounds 105 E-value 57.842
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.355 Statistical Significance 0.0397 Supporting Reference Compounds 472 E-value 308.906
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.333 Statistical Significance 0.0528 Supporting Reference Compounds 528 E-value 411.2
Click to view 3D structure	Nuclear factor erythroid 2-related factor 2	Q16236	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.375 Statistical Significance 0.0024 Supporting Reference Compounds 19 E-value 18.3724
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.333 Statistical Significance 0.082 Supporting Reference Compounds 953 E-value 638.441
Click to view 3D structure	Alpha-1A adrenergic receptor	P18130	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.333 Statistical Significance 0.0099 Supporting Reference Compounds 85 E-value 77.2264
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.355 Statistical Significance 0.0438 Supporting Reference Compounds 372 E-value 341.057
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.355 Statistical Significance 0.0412 Supporting Reference Compounds 332 E-value 320.583
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.306 Statistical Significance 0.0276 Supporting Reference Compounds 343 E-value 214.552
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.295 Low confidence Statistical Significance 0.039 Supporting Reference Compounds 373 E-value 303.923
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.295 Low confidence Statistical Significance 0.0586 Supporting Reference Compounds 406 E-value 456.586
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.355 Statistical Significance 0.0221 Supporting Reference Compounds 172 E-value 172.125
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.308 Statistical Significance 0.0155 Supporting Reference Compounds 166 E-value 120.588
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.34 Statistical Significance 0.0553 Supporting Reference Compounds 407 E-value 430.506
Click to view 3D structure	Muscarinic acetylcholine receptor M3	Q8VH26	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.295 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 52 E-value 28.8821
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.295 Low confidence Statistical Significance 0.0405 Supporting Reference Compounds 234 E-value 314.978
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.353 Statistical Significance 0.246 Supporting Reference Compounds 1245 E-value 1915.09
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.353 Statistical Significance 0.0132 Supporting Reference Compounds 88 E-value 102.761