CHEBI:180400 - 4-Methylbenzyl alcohol acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-Methylbenzyl alcohol acetate
ChEBI ID CHEBI:180400
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O2
Net Charge 0
Average Mass 164.204
Monoisotopic Mass 164.08373
InChI InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3
InChIKey WDCUPFMSLUIQBH-UHFFFAOYSA-N
SMILES O(CC1=CC=C(C=C1)C)C(=O)C
ChEBI Ontology
Outgoing 4-Methylbenzyl alcohol acetate (CHEBI:180400) has functional parent benzyl alcohol (CHEBI:17987)
4-Methylbenzyl alcohol acetate (CHEBI:180400) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(4-methylphenyl)methyl acetate
Manual Xrefs Databases
67733 ChemSpider
HMDB0040460 HMDB
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Registry Number Type Source
2216-45-7 CAS Registry Number ChemIDplus