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Reference substances

Reference substances

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General information

Inventory

EC number:
218-080-2
EC name:
Pentyl salicylate
CAS number:
2050-08-0

No inventory information available

Reference substance information

IUPAC name:
Pentyl 2-hydroxybenzoate
Synonyms
Names:
Benzoic acid, 2-hydroxy-, pentyl ester
Identifier:
IUPAC name
pentyl salicylate
Identifier:
other: SMILES notation
CCCCCOC(=O)c1ccccc1O
Identifier:
other: SMILES notation
O=C(OCCCCC)c(c(O)ccc1)c1

CAS information

CAS number:
2050-08-0

Molecular and structural information

Molecular formula:
C12H16O3
Molecular weight:
208.254
SMILES notation:
O=C(OCCCCC)c1ccccc1O
InChl:
InChI=1/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3
Structural formula:
Chemical structure