Benzene, 2,4-dimethoxy-1-methyl- (CED0191941)

Record Information

Version

1.0

Creation Date

2026-04-03 23:39:53 UTC

Update Date

2026-08-25 11:02:58 UTC

Accession Number

CHEM069364

Identification

Common Name

Benzene, 2,4-dimethoxy-1-methyl-

Class

Small Molecule

Description

Benzene, 2,4-dimethoxy-1-methyl- is an organic compound with the chemical formula C9H12O2 and an average molecular weight of 152.19 g/mol. Benzene, 2,4-dimethoxy-1-methyl- belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds. Within the broader chemical hierarchy, it is categorized under the benzenoids superclass. This compound is associated with one recorded source, specifically electrical and electronic equipment such as electric hearing aids.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₂O₂

Average Molecular Mass

152.193 g/mol

Monoisotopic Mass

152.084 g/mol

CAS Registry Number

38064-90-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC1=CC(OC)=C(C)C=C1

InChI Identifier

InChI=1S/C9H12O2/c1-7-4-5-8(10-2)6-9(7)11-3/h4-6H,1-3H3

InChI Key

OSNMRWURXNWCGA-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
2464.0	Log mg/kg	[1400:4400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available
685	Ceramics	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available
739	Inks	Paper, pulp & fiber products	Not Available
740	Paper	Paper, pulp & fiber products	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	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	14.0129
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	10.6653
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	72.7112
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	51.6919
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	8.64126
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	138.027
Click to view 3D structure	Tubulin polymerization-promoting protein	Q27957	Bos taurus	Predicted (SEA)	0.622794
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	195.946
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	165.507
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	148.926
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	76.5258
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	749.299
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	37.679
Click to view 3D structure	Aryl hydrocarbon receptor	O02747	Oryctolagus cuniculus	Predicted (SEA)	5.0602
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	110.001
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	50.057
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	11.2103
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	354.681
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	52.0811
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	453.705
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	309.451
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	92.1735
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	225.685
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	270.604
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	170.256