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Merck
CN

W311308

Wintergreen oil

China origin

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About This Item

CAS Number:
90045-28-6
PubChem Substance ID:
24901473
UNSPSC Code:
12164502
FEMA Number:
3113
NACRES:
NA.21
EC Number:
289-888-0
MDL number:
MFCD00002214

Key Documents

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InChI

1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3

InChI key

OSWPMRLSEDHDFF-UHFFFAOYSA-N

SMILES string

COC(=O)c1ccccc1O

biological source

Gaultheria procumbens L.

grade

Kosher

optical activity

[α]20/D −0.5°, neat

origin

China origin

bp

219 °C (lit.)

density

1.181 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

fresh; sweet; wintergreen

Preparation Note

Extraction method: steam distillation

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

204.8 °F

flash_point_c

96 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBL6477
SHBL2228
MKCJ0432
MKCD2967
MKBZ2600V

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Ticiano P Barbosa et al.
Bioorganic & medicinal chemistry, 19(14), 4250-4256 (2011-06-21)
The chalcone-like series 1a-1g was efficiently synthesized from Morita-Baylis-Hillman reaction (52-74% yields). Compounds 1a-1g were designed by molecular hybridization based on the anti-inflammatory drug methyl salicylate (3) and the antileishmanial moiety of the Morita-Baylis-Hillman adducts 2a-2g. The 1a-1g compounds were
Michael Jones et al.
Journal of medicinal chemistry, 52(21), 6588-6598 (2009-10-14)
Aspirin prodrugs and related nitric oxide releasing compounds hold significant therapeutic promise, but they are hard to design because aspirin esterification renders its acetate group very susceptible to plasma esterase mediated hydrolysis. Isosorbide-2-aspirinate-5-salicylate is a true aspirin prodrug in human
Jihye Kim et al.
European journal of medicinal chemistry, 48, 36-44 (2011-12-14)
To develop a more potent NFκB inhibitor from salicylic acid which is known to inhibit activity of NFκB, a transcription factor regulating genes involved in immunity, inflammation and tumorigenesis, derivatives of salicylic acid (SA) where the 5 position, carboxyl or
Lourdes Santana et al.
Journal of medicinal chemistry, 51(21), 6740-6751 (2008-10-07)
The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared and assayed 33 coumarin derivatives
Denis Fourches et al.
Chemical research in toxicology, 23(1), 171-183 (2009-12-18)
Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this

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