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: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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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