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Reference substances

Reference substances

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General information

Inventory

EC number:
256-972-3
EC name:
2-methylbutyl salicylate
CAS number:
51115-63-0

No inventory information available

Reference substance information

IUPAC name:
2-methylbutyl 2-hydroxybenzoate
Synonyms
Names:
Benzoic acid, 2-hydroxy-, 2-methylbutyl ester
Identifier:
IUPAC name
2-methylbutyl salicylate
Identifier:
other: SMILES notation
CCC(C)COC(=O)c1ccccc1O
Identifier:
other: SMILES notation
O=C(OCC(CC)C)c(c(O)ccc1)c1

CAS information

CAS number:
51115-63-0

Molecular and structural information

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