CHEBI:38896 - 3,4,5-trimethylphenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4,5-trimethylphenol
ChEBI ID CHEBI:38896
Definition A phenol that consists of 1,2,3-trimethylbenzene having a single phenolic hydroxy substituent located at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H12O
Net Charge 0
Average Mass 136.19098
Monoisotopic Mass 136.08882
InChI InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
InChIKey FDQQNNZKEJIHMS-UHFFFAOYSA-N
SMILES Cc1cc(O)cc(C)c1C
ChEBI Ontology
Outgoing 3,4,5-trimethylphenol (CHEBI:38896) has parent hydride 1,2,3-trimethylbenzene (CHEBI:34037)
3,4,5-trimethylphenol (CHEBI:38896) is a phenols (CHEBI:33853)
Incoming 3,4,5-trimethylphenyl methylcarbamate (CHEBI:38894) has functional parent 3,4,5-trimethylphenol (CHEBI:38896)
IUPAC Name
3,4,5-trimethylphenol
Synonyms Sources
1-Hydroxy-3,4,5-trimethylbenzene NIST Chemistry WebBook
3,4,5-Hemimellitenol ChemIDplus
5-Hydroxy-1,2,3-trimethylbenzene ChemIDplus
Registry Numbers Types Sources
1907246 Reaxys Registry Number Reaxys
527-54-8 CAS Registry Number NIST Chemistry WebBook
527-54-8 CAS Registry Number ChemIDplus
Last Modified
08 December 2011