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209465

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24852569
EC Number:
205-257-4
Beilstein/REAXYS Number:
2048312
MDL number:
MFCD00002284
Assay:
98%
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Quality Level

100

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

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.

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pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

388.4 °F

flash_point_c

198 °C

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBK8097
STBJ1933
STBH2809
STBG2020V
01407EJ

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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
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)
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Global Trade Item Number

SKUGTIN
209465-100G04061838770721
209465-25G04061838770738