Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:34276 - 1-ethyl-2-methylbenzene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1-ethyl-2-methylbenzene
ChEBI ID
CHEBI:34276
Definition
A member of the class of toluenes carrying an ethyl group at the
ortho
-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C9H12
Net Charge
0
Average Mass
120.19158
Monoisotopic Mass
120.09390
InChI
InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKey
HYFLWBNQFMXCPA-UHFFFAOYSA-N
SMILES
CCc1ccccc1C
ChEBI Ontology
Outgoing
1-ethyl-2-methylbenzene (
CHEBI:34276
)
is a
toluenes (
CHEBI:27024
)
IUPAC Name
1-ethyl-2-methylbenzene
Synonyms
Sources
1,2-methylethylbenzene
NIST Chemistry WebBook
1-Ethyl-2-methylbenzene
KEGG COMPOUND
1-Methyl-2-ethylbenzene
ChemIDplus
2-Ethyltoluene
KEGG COMPOUND
o-Ethyltoluene
ChemIDplus
o-Methylethylbenzene
KEGG COMPOUND
ortho-Ethyltoluene
NIST Chemistry WebBook
Manual Xrefs
Databases
C14572
KEGG COMPOUND
HMDB0059819
HMDB
View more database links
Registry Numbers
Types
Sources
1851237
Reaxys Registry Number
Reaxys
611-14-3
CAS Registry Number
KEGG COMPOUND
611-14-3
CAS Registry Number
ChemIDplus
611-14-3
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
10192893
PubMed citation
Europe PMC
12744829
PubMed citation
Europe PMC
22204492
PubMed citation
Europe PMC
Last Modified
23 October 2015