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> Main
CHEBI:38703 - isopropyl salicylate
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ChEBI Name
isopropyl salicylate
ChEBI ID
CHEBI:38703
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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Molfile
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
InChIKey
YEULQIJMIOWCHB-UHFFFAOYSA-N
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
)
IUPAC Name
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
Types
Sources
1650428
PubMed citation
Europe PMC
19996699
PubMed citation
Europe PMC
Last Modified
09 March 2018