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Merck
CN

61690

Hexyl salicylate

analytical standard

Synonym(s):

2-hydroxyhexyl ester benzoic acid, Hexyl 2-hydroxybenzoate

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About This Item

Empirical Formula (Hill Notation):
C13H18O3
CAS Number:
6259-76-3
Molecular Weight:
222.28
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329759641
EC Number:
228-408-6
Beilstein/REAXYS Number:
2453103
MDL number:
MFCD00036487

Key Documents

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InChI

1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3

InChI key

DUKPKQFHJQGTGU-UHFFFAOYSA-N

SMILES string

CCCCCCOC(=O)c1ccccc1O

grade

analytical standard

assay

≥99.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

impurities

≤0.3% water

refractive index

n20/D 1.504-1.506

Quality Level

100

bp

290 °C (lit.)

density

1.04 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

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General description

Hexyl 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.

Application

Hexyl 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).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Skin Irrit. 2 - Skin Sens. 1

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

251.6 °F - closed cup

flash_point_c

122 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ7799
BCCG1265
BCBZ8119
BCBR0040V

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Removal of fragrance materials during US and European wastewater treatment
Simonich LS, et al.
Environmental Science & Technology, 36(13), 2839-2847 (2002)
Andrea Aliboni et al.
Journal of agricultural and food chemistry, 59(1), 282-288 (2010-12-04)
Propolis is a beehive product popular in natural medicine thanks to its noteworthy properties. Propolis is non-toxic but is responsible for allergic reactions in sensitive individuals. In this paper, we propose a new gas chromatography-mass spectrometry (GC-MS) analytical methodology for

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