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Safety Information

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

209465-BULK:
209465-100G:
209465-VAR:
209465-5G:
209465-25G:
209465-10KG:
209465-5KG:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Yunbin Hao et al.
Molecules (Basel, Switzerland), 23(9) (2018-08-31)
A method for the rapid determination of 4-hexylresorcinol (4-HR) residue in shrimp by solid phase extraction (SPE) ultra-high performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) was established. 4-HR was extracted twice with methanol, and the extract was formulated into methanol-water solution
E Arias et al.
Journal of food science, 72(8), C422-C429 (2007-11-13)
The effects of ascorbic acid (AA) and 4-hexylresorcinol (4-HR) on pear polyphenoloxidase (PPO) activity and stability have been investigated in vitro. AA does not interact directly with PPO but prevents browning by reducing oxidized substrates. The 4-HR exerts a dual
Tobias Mann et al.
International journal of molecular sciences, 19(3) (2018-03-03)
Tyrosinase inhibitors are of great clinical interest as agents for the treatment of hyperpigmentary disorders; however, most compounds described in the literature lack clinical efficiency due to insufficient inhibitory activity against human tyrosinase (hTyr). Recently, we reported that thiazolyl resorcinols
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
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