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CHEBI:38703 - isopropyl salicylate

ChEBI IDCHEBI:38703
ChEBI Nameisopropyl salicylate
Stars
DefinitionA benzoate ester that is the isopropyl ester of salicylic acid.
Last Modified9 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H12O3
Net Charge0
Average Mass180.203
Monoisotopic Mass180.07864
SMILESCC(C)OC(=O)c1ccccc1O
InChIInChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
InChIKeyYEULQIJMIOWCHB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
isocarbophos (CHEBI:38704) has functional parent isopropyl salicylate (CHEBI:38703)
isofenphos (CHEBI:6009) has functional parent isopropyl salicylate (CHEBI:38703)
IUPAC Name 
propan-2-yl 2-hydroxybenzoate
Synonyms  Source
1-methylethyl 2-hydroxybenzoateIUPAC
Iso-propyl salicylateNIST Chemistry WebBook
Salicylic acid, isopropyl esterNIST Chemistry WebBook
Isopropyl o-hydroxybenzoateNIST Chemistry WebBook
Registry NumbersSources
Reaxys:2615569Reaxys
CAS:607-85-2ChemIDplus
CAS:607-85-2NIST Chemistry WebBook
Citations