CHEBI:179898 - 5-Isopropyl-2-methylphenol 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 5-Isopropyl-2-methylphenol acetate
ChEBI ID CHEBI:179898
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H16O2
Net Charge 0
Average Mass 192.258
Monoisotopic Mass 192.11503
InChI InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3
InChIKey OXZSUQJHKQOGOK-UHFFFAOYSA-N
SMILES O(C=1C=C(C(C)C)C=CC1C)C(=O)C
ChEBI Ontology
Outgoing 5-Isopropyl-2-methylphenol acetate (CHEBI:179898) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(2-methyl-5-propan-2-ylphenyl) acetate
Manual Xrefs Databases
72946 ChemSpider
HMDB0035447 HMDB
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Registry Number Type Source
4395-82-8 CAS Registry Number ChemIDplus