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209465

Sigma-Aldrich

4-Hexylresorcinol

98%

Synonym(s):

Antascarin, Ascarinol, 4-Hexyl-1,3-dihydroxybenzene

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About This Item

Linear Formula:
CH3(CH2)5C6H3-1,3-(OH)2
CAS Number:
136-77-6
Molecular Weight:
194.27
Beilstein:
2048312
EC Number:
205-257-4
MDL number:
MFCD00002284
UNSPSC Code:
12352100
PubChem Substance ID:
24852569
NACRES:
NA.22

Assay

98%

bp

333-335 °C (lit.)

mp

65-67 °C (lit.)

solubility

water: soluble 2000 part(lit.)
acetone: soluble(lit.)
alcohol: soluble(lit.)
chloroform: soluble(lit.)
diethyl ether: soluble(lit.)
petroleum ether: slightly soluble(lit.)
vegetable oils: soluble(lit.)

SMILES string

CCCCCCc1ccc(O)cc1O

InChI

1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3

InChI key

WFJIVOKAWHGMBH-UHFFFAOYSA-N

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Application

4-Hexylresorcinol is used as the starting material to synthesize a potent immune suppressor, celastramycin A. It is a precursor to prepare resorcinol-sn-glycerol derivatives, that exhibit high affinity for cannabinoid type 1 receptor. It can also be incorporated as a linker while building catenanes.

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H302,H319,H411

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

388.4 °F

Flash Point(C)

198 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Seong-Gon Kim et al.
Journal of oral and maxillofacial surgery : official journal of the American Association of Oral and Maxillofacial Surgeons, 69(11), e354-e363 (2011-08-09)
Aerosol deposition is a newly developed technique, and it can deliver the drug from a hydroxyapatite (HA)-coated surface. 4-Hexylresorcinol (4-HR) is a well-known antiseptic. The influence of the 4-HR component of HA coatings on titanium surfaces was studied in vitro
Revised structure and synthesis of celastramycin a, a potent innate immune suppressor.
Kikuchi H, et al.
Organic Letters, 11(8), 1693-1695 (2009)
E Arias et al.
Journal of food science, 72(9), C464-C470 (2007-11-24)
We have investigated the mechanism of action of 4-hexylresorcinol (4-HR) and ascorbic acid (AA) on the polyphenol oxidase (PPO) catalyzed oxidation of phenolic substrates. Incubation of PPO with 4-HR diminishes strongly PPO activity. This effect can be erroneously interpreted, due
Resorcinol-sn-glycerol derivatives: novel 2-arachidonoylglycerol mimetics endowed with high affinity and selectivity for cannabinoid type 1 receptor.
Brizzi A, et al.
Journal of Medicinal Chemistry, 54(24), 8278-8288 (2011)
Rafeek F Shokry et al.
Journal of pharmaceutical and biomedical analysis, 145, 386-398 (2017-07-19)
Three chromatographic stability-indicating methods were developed for determination of 4-hexylresorcinol in pure form and in a pharmaceutical formulation. Method A was based on a gradient elution liquid chromatographic HPLC determination of 4-hexylresorcinol, its related impurities and in presence of its
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