CHEBI:38894 - 3,4,5-trimethylphenyl methylcarbamate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4,5-trimethylphenyl methylcarbamate
ChEBI ID CHEBI:38894
Definition A carbamate ester that consists of 3,4,5-trimethylphenol carrying an O-(N-methylcarbamoyl) group. One of two constituents of trimethacarb.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000008219666
Download Molfile XML SDF
Formula C11H15NO2
Net Charge 0
Average Mass 193.24234
Monoisotopic Mass 193.11028
InChI InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)
InChIKey AUQAUAIUNJIIEP-UHFFFAOYSA-N
SMILES CNC(=O)Oc1cc(C)c(C)c(C)c1
Roles Classification
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,4,5-trimethylphenyl methylcarbamate (CHEBI:38894) has functional parent 3,4,5-trimethylphenol (CHEBI:38896)
3,4,5-trimethylphenyl methylcarbamate (CHEBI:38894) has role agrochemical (CHEBI:33286)
3,4,5-trimethylphenyl methylcarbamate (CHEBI:38894) has role insecticide (CHEBI:24852)
3,4,5-trimethylphenyl methylcarbamate (CHEBI:38894) is a carbamate ester (CHEBI:23003)
Incoming trimethacarb (CHEBI:38569) has part 3,4,5-trimethylphenyl methylcarbamate (CHEBI:38894)
IUPAC Name
3,4,5-trimethylphenyl methylcarbamate
Synonyms Sources
3,4,5-Trimethylphenol methylcarbamate ChemIDplus
3,4,5-Trimethylphenyl N-methylcarbamate NIST Chemistry WebBook
Methylcarbamic acid 3,4,5-trimethylphenyl ester ChemIDplus
Registry Numbers Types Sources
2052372 Reaxys Registry Number Reaxys
2686-99-9 CAS Registry Number ChemIDplus
2686-99-9 CAS Registry Number NIST Chemistry WebBook
Last Modified
08 December 2011