1,3-Benzodioxole, 5-methyl- (CED0185746)

Record Information

Version

1.0

Creation Date

2026-04-03 10:41:53 UTC

Update Date

2026-08-25 04:14:12 UTC

Accession Number

CHEM063719

Identification

Common Name

1,3-Benzodioxole, 5-methyl-

Class

Small Molecule

Description

1,3-Benzodioxole, 5-methyl- is an organic compound with the formula C8H8O2 and an average molecular weight of 136.15 g/mol. 1,3-Benzodioxole, 5-methyl- belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound is found in or released from five recorded sources. These include electrical and electronic equipment, specifically video games and emergency protective devices. It is also associated with food, cookware, and food processing, including the processing of meats and the preparation of sparkling wine or wine. Additionally, it is found in household cleaning and consumer products, specifically other smoking requisites.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₈O₂

Average Molecular Mass

136.150 g/mol

Monoisotopic Mass

136.052 g/mol

CAS Registry Number

7145-99-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=CC2=C(OCO2)C=C1

InChI Identifier

InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3

InChI Key

GHPODDMCSOYWNE-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
1196.0	Log mg/kg	[670:2100]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
520	Emergency Protective Devices	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
552	Processing Meats	Food, food processing & cookware	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
602	Molluscicides	Agriculture & land management	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	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	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	20.0072
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	32.1517
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	53.171
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	62.6686
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	122.223
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	121.289
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 2	Q92630	Humans	Predicted (SEA)	76.6815
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	421.32
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	385.198
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	414.858
Click to view 3D structure	X-box-binding protein 1	Q9R1S4	Rattus norvegicus	Predicted (SEA)	0.389246
Click to view 3D structure	Dual specificity protein kinase CLK1	P22518	Mus musculus	Predicted (SEA)	9.9647
Click to view 3D structure	Dual specificity protein kinase CLK3	O35492	Mus musculus	Predicted (SEA)	4.12601
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Q9Y463	Humans	Predicted (SEA)	256.513
Click to view 3D structure	Dual specificity protein kinase CLK4	O35493	Mus musculus	Predicted (SEA)	5.60514
Click to view 3D structure	Dual specificity protein kinase CLK2	O35491	Mus musculus	Predicted (SEA)	5.29375
Click to view 3D structure	Dual specificity protein kinase CLK1	P49759	Humans	Predicted (SEA)	191.353
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 3	O43781	Humans	Predicted (SEA)	294.036
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	736.687
Click to view 3D structure	Amine oxidase [flavin-containing] B	P19643	Rattus norvegicus	Predicted (SEA)	51.8476
Click to view 3D structure	Dual specificity protein kinase CLK3	P49761	Humans	Predicted (SEA)	160.759
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	511.392
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	555.221
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	248.65
Click to view 3D structure	D(1B) dopamine receptor	P21918	Humans	Predicted (SEA)	180.065