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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:34039 - 1,2,4-trimethylbenzene
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ChEBI Ontology
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ChEBI Name
1,2,4-trimethylbenzene
ChEBI ID
CHEBI:34039
Definition
A trimethylbenzene carrying methyl groups at positions 1, 2 and 4.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H12
Net Charge
0
Average Mass
120.19158
Monoisotopic Mass
120.09390
InChI
InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
InChIKey
GWHJZXXIDMPWGX-UHFFFAOYSA-N
SMILES
Cc1ccc(C)c(C)c1
Roles Classification
Biological Role
(s):
neurotoxin
A poison that interferes with the functions of the nervous system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1,2,4-trimethylbenzene (
CHEBI:34039
)
has role
neurotoxin (
CHEBI:50910
)
1,2,4-trimethylbenzene (
CHEBI:34039
)
is a
trimethylbenzene (
CHEBI:38641
)
Incoming
2,3,5-trimethylphenol (
CHEBI:38570
)
has parent hydride
1,2,4-trimethylbenzene (
CHEBI:34039
)
IUPAC Name
1,2,4-trimethylbenzene
Synonyms
Sources
1,2,4-Trimethylbenzene
KEGG COMPOUND
1,3,4-Trimethylbenzene
ChemIDplus
as-Trimethylbenzene
ChemIDplus
Pseudocumene
KEGG COMPOUND
Pseudocumol
ChemIDplus
ψ-Cumene
NIST Chemistry WebBook
Psi-cumene
ChemIDplus
Uns-trimethylbenzene
ChemIDplus
Manual Xrefs
Databases
1,2,4-Trimethylbenzene
Wikipedia
C14533
KEGG COMPOUND
HMDB0013733
HMDB
PSEUDOCUMENE
MetaCyc
View more database links
Registry Numbers
Types
Sources
1903005
Reaxys Registry Number
Reaxys
95-63-6
CAS Registry Number
NIST Chemistry WebBook
95-63-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
12038862
PubMed citation
Europe PMC
12705719
PubMed citation
Europe PMC
9091763
PubMed citation
Europe PMC
9117193
PubMed citation
Europe PMC
Last Modified
23 October 2015