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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

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IUPAC name:
isopentyl salicylate

Inventory

EC number:
201-730-4
EC name:
Isopentyl salicylate
CAS number:
87-20-7
CAS number:
87-20-7
Synonyms
Names:
Benzoic acid, 2-hydroxy-, 3-methylbutyl ester
Identifier:
IUPAC name
Isoamyl salicylate
Identifier:
other: InChl
1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
3-methylbutyl salicylate

Molecular and structural information

Molecular formula:
C12H16O3
Molecular weight:
208.254
SMILES notation:
CC(C)CCOC(=O)c1ccccc1O
InChl:
InChI=1/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
Structural formula:
Chemical structure

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