Hexyl salicylate

Hexyl salicylate Basic information
Product Name:Hexyl salicylate
Synonyms:HEXYL 2-HYDROXYBENZOATE;HEXYL SALICYLATE;HEXYL SALICYLATE, N-;SALICYLIC ACID N-HEXYL ESTER;O-HYDROXYBENZOIC ACID N-HEXYL ESTER;N-HEXYL-2-HYDROXYBENZOATE;N-HEXYL ORTHO HYDROXY BENZOATE;N-HEXYL SALICYLATE
CAS:6259-76-3
MF:C13H18O3
MW:222.28
EINECS:228-408-6
Product Categories:Food Additive;Used in variety of cosmetic and soap essences.
Mol File:6259-76-3.mol
Hexyl salicylate Structure
Hexyl salicylate Chemical Properties
Boiling point 290 °C (lit.)
density 1.04 g/mL at 25 °C (lit.)
vapor pressure 0.077Pa at 23℃
refractive index n20/D 1.505(lit.)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Sparingly), DMSO (Slightly)
pka8.17±0.30(Predicted)
form neat
color Colourless oily liquid.
Odorat 100.00 %. fresh herbal orchid green
Odor Typeherbal
Water Solubility 0.28g/L(37 ºC)
BRN 2453103
LogP5.5 at 30℃
CAS DataBase Reference6259-76-3(CAS DataBase Reference)
NIST Chemistry ReferenceN-hexyl salicylate(6259-76-3)
EPA Substance Registry SystemHexyl salicylate (6259-76-3)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
RIDADR UN 3082 9 / PGIII
WGK Germany 2
RTECS DH2207000
toxicityBoth the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975).
MSDS Information
ProviderLanguage
SigmaAldrich English
Hexyl salicylate Usage And Synthesis
Chemical PropertiesColorless and transparent oil liquid
Chemical PropertiesHexyl Salicylate has been reported in carnation flower absolute . It is a colorless liquid with a green, floral, spicy odor, reminiscent of azaleas. It is used for blossom and herbal notes in perfumes, for example, in soaps, personal hygiene products, and detergents.
OccurrenceHas apparently not been reported to occur in nature.
UsesHexyl salicylate may be used as an internal standard for the determination of allergenic ester, benzyl salicylate in propolis specimens using gas chromatography-mass spectrometry (GC?MS), high-performance liquid chromatography (HPLC), and ultraviolet-visible (UV?Vis) spectrophotometry. It may also be used as a standard fragrance material for the quantification of the analyte in wastewater treatment plants using gas chromatography-mass spectrometry (GC?MS).
DefinitionChEBI: Hexyl salicylic acid is a benzoate ester.
PreparationBy methyl salicylate exchange with n-hexanol using a sodium methoxylate catalyst.
General DescriptionHexyl salicylate belongs to the class of flavor & fragrance standards, for use in food, beverage and cosmetic industry. These standards are widely used to add taste and/or smell to products without aroma, to mask unpleasant odors and to maintain stability of original flavor.
Flammability and ExplosibilityNonflammable
MetabolismBecause of the widespread medicinal use of salicyclic acid and its derivatives, there is an extensive literature on the metabolism and excretion of these compounds. Most esters of salicyclic acid hydrolyse to salicylic acid in the body, but this occurs more readily with the lower esters, little of the amyl ester being split. A large proportion of salicylic acid is excreted unchanged by most species; salicyluric acid, gentisic acid, and salicylglucuronides are also known to be excreted (Williams. 1959). Salicylic acid has been found to be teratogenic to rats (Koshakji. 1972).
Hexyl salicylate Preparation Products And Raw materials
Sodium salicylate Isoamyl o-hydroxybenzoate Zeranol Salicylic acid Homosalate FENCHYL SALICYLATE Zearalenone Hexyl salicylate Dicyclohexyl phthalate Isochlortetracyclinehydrochloride POLY(1 6-HEXAMETHYLENE ADIPATE) AVERAG& 2-Ethylhexyl salicylate ZERANOL DI-N-HEXYL PHTHALATE AGRIMONINE Methyl salicylate HexanitrodiphenylaMine 2-Hydroxybenzoic acid octyl ester

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