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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:39839 - 3,4-xylenol
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ChEBI Ontology
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ChEBI Name
3,4-xylenol
ChEBI ID
CHEBI:39839
Definition
A member of the class of phenols that is phenol substituted by methyl groups at positions 3 and 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:38575, CHEBI:39833
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Formulae
C8H10O
C8H10O
Net Charge
0
Average Mass
122.16440
Monoisotopic Mass
122.07316
InChI
InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKey
YCOXTKKNXUZSKD-UHFFFAOYSA-N
SMILES
Cc1ccc(O)cc1C
ChEBI Ontology
Outgoing
3,4-xylenol (
CHEBI:39839
)
has parent hydride
o
-xylene (
CHEBI:28063
)
3,4-xylenol (
CHEBI:39839
)
is a
phenols (
CHEBI:33853
)
Incoming
xylylcarb (
CHEBI:35048
)
has functional parent
3,4-xylenol (
CHEBI:39839
)
IUPAC Name
3,4-dimethylphenol
Synonyms
Sources
1,2-Dimethyl-4-hydroxybenzene
NIST Chemistry WebBook
1,3,4-Xylenol
ChemIDplus
3,4-DMP
ChemIDplus
4,5-Dimethylphenol
ChemIDplus
4-Hydroxy-1,2-dimethylbenzene
ChemIDplus
Manual Xrefs
Databases
2MP
PDBeChem
3,4-Xylenol
Wikipedia
DB04052
DrugBank
HMDB0032151
HMDB
View more database links
Registry Numbers
Types
Sources
1099267
Beilstein Registry Number
Beilstein
1099267
Reaxys Registry Number
Reaxys
95-65-8
CAS Registry Number
NIST Chemistry WebBook
95-65-8
CAS Registry Number
ChemIDplus
Citation
Type
Source
11217037
PubMed citation
Europe PMC
Last Modified
17 April 2014