CHEBI:38703 - isopropyl salicylate

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ChEBI Name isopropyl salicylate
Definition A benzoate ester that is the isopropyl ester of salicylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H12O3
Net Charge 0
Average Mass 180.20050
Monoisotopic Mass 180.07864
InChI InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
SMILES CC(C)OC(=O)c1ccccc1O
ChEBI Ontology
Outgoing isopropyl salicylate (CHEBI:38703) has functional parent salicylic acid (CHEBI:16914)
isopropyl salicylate (CHEBI:38703) is a benzoate ester (CHEBI:36054)
isopropyl salicylate (CHEBI:38703) is a isopropyl ester (CHEBI:35725)
isopropyl salicylate (CHEBI:38703) is a phenols (CHEBI:33853)
isopropyl salicylate (CHEBI:38703) is a salicylates (CHEBI:26596)
Incoming isocarbophos (CHEBI:38704) has functional parent isopropyl salicylate (CHEBI:38703)
isofenphos (CHEBI:6009) has functional parent isopropyl salicylate (CHEBI:38703)
propan-2-yl 2-hydroxybenzoate
Synonyms Sources
1-methylethyl 2-hydroxybenzoate IUPAC
Iso-propyl salicylate NIST Chemistry WebBook
Isopropyl o-hydroxybenzoate NIST Chemistry WebBook
Salicylic acid, isopropyl ester NIST Chemistry WebBook
Registry Numbers Types Sources
2615569 Reaxys Registry Number Reaxys
2615569 Beilstein Registry Number Beilstein
607-85-2 CAS Registry Number NIST Chemistry WebBook
607-85-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1650428 PubMed citation Europe PMC
19996699 PubMed citation Europe PMC
Last Modified
09 March 2018