CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1292 |
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SAFETY INFORMATION
Signal word | Danger |
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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 |
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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.