U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O2
Molecular Weight 136.1479
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Methyl-1,3-benzodioxole

SMILES

CC1=CC=C2OCOC2=C1

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
5-Methyl-1,3-benzodioxole
Systematic Name English
1,3-Benzodioxole, 5-methyl-
Preferred Name English
3,4-(Methylenedioxy)toluene
Systematic Name English
NSC-15642
Code English
AI3-20481
Code English
Toluene, 3,4-methylenedioxy-
Systematic Name English
Code System Code Type Description
FDA UNII
27N5CS5GH7
Created by admin on Wed Apr 02 12:55:51 GMT 2025 , Edited by admin on Wed Apr 02 12:55:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID90221641
Created by admin on Wed Apr 02 12:55:51 GMT 2025 , Edited by admin on Wed Apr 02 12:55:51 GMT 2025
PRIMARY
CAS
7145-99-5
Created by admin on Wed Apr 02 12:55:51 GMT 2025 , Edited by admin on Wed Apr 02 12:55:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-453-1
Created by admin on Wed Apr 02 12:55:51 GMT 2025 , Edited by admin on Wed Apr 02 12:55:51 GMT 2025
PRIMARY
PUBCHEM
81564
Created by admin on Wed Apr 02 12:55:51 GMT 2025 , Edited by admin on Wed Apr 02 12:55:51 GMT 2025
PRIMARY
NSC
15642
Created by admin on Wed Apr 02 12:55:51 GMT 2025 , Edited by admin on Wed Apr 02 12:55:51 GMT 2025
PRIMARY