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607-85-2

607-85-2 structural image
Product Name: Isopropyl salicylate
Formula: C10H12O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1292

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 180.20 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 180.078644241 g/mol
Monoisotopic Mass 180.078644241 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 177
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Isopropyl salicylate is a benzoate ester that is the isopropyl ester of salicylic acid. It is a benzoate ester, a member of phenols, a member of salicylates and an isopropyl ester. It is functionally related to a salicylic acid.