6259-76-3
Product Name:
Hexyl salicylate
Formula:
C13H18O3
Synonyms:
2-hydroxyhexyl ester benzoic acid;Hexyl 2-hydroxybenzoate
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Dry Powder, Liquid, Other Solid; Liquid |
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Kovats Retention Index | 1684 1652 1651.5 1664 1656 1639 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 Environment GHS09 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H410:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
Molecular Weight | 222.28 g/mol |
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XLogP3 | 5.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 7 |
Exact Mass | 222.125594432 g/mol |
Monoisotopic Mass | 222.125594432 g/mol |
Topological Polar Surface Area | 46.5 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 203 |
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
Hexyl salicylic acid is a benzoate ester.