ChemicalBook > CAS DataBase List > 4-Hexylresorcinol

4-Hexylresorcinol

Product Name
4-Hexylresorcinol
CAS No.
136-77-6
Chemical Name
4-Hexylresorcinol
Synonyms
HEXYLRESORCINOL;4-HEXYLRESORCINOL;Hexylcaine;Oxana;ST-37;s.t.37;Adrover;Ascaryl;Hidesol;Prensol
CBNumber
CB2725396
Molecular Formula
C12H18O2
Formula Weight
194.27
MOL File
136-77-6.mol
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4-Hexylresorcinol Property

Melting point:
65-67 °C (lit.)
Boiling point:
333-335 °C (lit.)
Density 
1.0010 (rough estimate)
vapor pressure 
0.001Pa at 25℃
refractive index 
1.5050 (estimate)
Flash point:
>100°C
storage temp. 
2-8°C
solubility 
chloroform: 50 mg/mL, clear
form 
Powder and/or Chunks
pka
pKa 9.1 (Uncertain)
color 
White to pale orange or pale pink
PH
7.7 (0.5g/l, H2O, 20℃)
Water Solubility 
0.05 g/100 mL (18 ºC)
Merck 
14,4712
BRN 
2048312
Stability:
Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.
InChIKey
WFJIVOKAWHGMBH-UHFFFAOYSA-N
LogP
3.34 at 20℃
Surface tension
36.59mN/m at 1g/L and 20℃
CAS DataBase Reference
136-77-6(CAS DataBase Reference)
NIST Chemistry Reference
Hexylresorcinol(136-77-6)
EPA Substance Registry System
4-Hexylresorcinol (136-77-6)
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Safety

Hazard Codes 
Xn
Risk Statements 
22-36/37/38-20/21/22
Safety Statements 
26-36-24/25
RIDADR 
UN 3077 9 / PGIII
WGK Germany 
3
RTECS 
VH1575000
TSCA 
Yes
HS Code 
29072900
Hazardous Substances Data
136-77-6(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 550 mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H319Causes serious eye irritation

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.20647
Product name
4-Hexylresorcinol
Purity
for synthesis
Packaging
25g
Price
$91.1
Updated
2024/03/01
Sigma-Aldrich
Product number
8.20647
Product name
4-Hexylresorcinol
Purity
for synthesis
Packaging
100g
Price
$225
Updated
2024/03/01
Sigma-Aldrich
Product number
209465
Product name
4-Hexylresorcinol
Purity
98%
Packaging
25g
Price
$82
Updated
2024/03/01
Sigma-Aldrich
Product number
1308307
Product name
Hexylresorcinol
Purity
United States Pharmacopeia (USP) Reference Standard
Packaging
200mg
Price
$412
Updated
2024/03/01
Sigma-Aldrich
Product number
93513
Product name
4-Hexylresorcinol
Purity
analytical standard
Packaging
25MG
Price
$76.6
Updated
2022/05/15
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4-Hexylresorcinol Chemical Properties,Usage,Production

Chemical Properties

slightly red powder

Uses

4-Hexylresorcinol is an inhibitor of transglutaminase-2 in KB cells. Studies indicate that 4-Hexylresorcinol reduces DNA oxidative damage in human lymphocytes. is a substituted dihydroxybenzene used topically as an antiseptic for the treatment of minor skin infections. is a substituted phenol with bactericidal, antihelminthic and potential antineoplastic activities. The combination of 4-Hexylresorcinol and Cisplatin has been shown to inhibit tumor growth, cell growth, and KB cell viability.

Uses

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. p-Hexylresorcinol shows antiimnflammatory activity acting on the human 5-LO (5-Lipoxygenase) proinflammatory enzyme.

Preparation

The preparation of 4-Hexylresorcinol involves two methods:
The reaction of caproic acid and resorcinol in the presence of a catalyst.
Reduction of hexanoylresorcinol with zinc amalgam and dilute hydrochloric acid.

Definition

ChEBI: 4-hexylbenzene-1,3-diol is a member of resorcinols.

General Description

P-hexylresorcinol appears as pale-yellow viscous liquid (that becomes solid on standing at room temperature) or a peach colored powder. Pungent faintly fatty odor. Sharp astringent taste. (NTP, 1992)

Air & Water Reactions

Insoluble in water.

Reactivity Profile

4-Hexyl-1,3-benzenediol may be sensitive to prolonged exposure to light. Incompatible with acid chlorides, acid anhydrides and oxidizing agents .

Hazard

Irritant to respiratory tract and skin, concentrated solutions are vesicant.

Fire Hazard

Flash point data for 4-Hexyl-1,3-benzenediol are not available. 4-Hexyl-1,3-benzenediol is probably combustible.

Biological Activity

hexylresorcinol is a mushroom tyrosinase inhibitor.tyrosinase, a copper-containing enzyme, is distributed in microorganisms, animals, and plants widely. mushroom tyrosinase has been becoming popular due to its availability and usages in various applications.

Clinical Use

Hexylresorcinol, also known as 4-hexylresorcinol, is a white crystalline substance with a faint phenolic odor. When applied to the tongue it produces a sensation of numbness. It is freely soluble in alcohol but only slightly soluble in water(1–20,000 parts). Hexylresorcinol is an effective antiseptic,possessing both bactericidal and fungicidal properties.The phenol coefficient of hexylresorcinol against S. aureusis 98. As is typical for alkylated phenols, hexylresorcinol possesses surfactant properties. The compound also haslocal anesthetic activity. Hexylresorcinol is formulated into throat lozenges because of its local anesthetic and antisepticproperties. These preparations are probably of little value. Hexylresorcinol (in the concentration in thelozenge) is probably not antiseptic, and the local anestheticproperty can anesthetize the larynx, causing temporary laryngitis.

in vitro

previous results showed hexylresorcinol could inhibit both mono- and di-phenolase activity of mushroom tyrosinase. moreover, hexylresorcinol at 2 μm lengthened the lag period from 98 s to 26. hexylresorcinol could also display reversible inhibition of the enzyme. in addition, the kinetic analyses showed that hexylresorcinol was a competitive inhibitor with the apparent inhibition constant binding with free enzyme to be 0.443 μm for diphenolase [1].

in vivo

previous in vivo study showed that hexylresorcinol could induce chromosome aberrations in mouse eukaryotic cells at doses of 0.5, 0.05, and 0.005 mg/g and the metabolic transformation of hexylresorcinol decreased its genotoxic effect in mice. moreover, the mutagenic effect lasted for 3 days only at the highest dose of hexylresorcinol (0.5 mg/g). thus, hexylresorcinol doses less than 0.5 mg/g were metabolized within two days to the extent of the cytotoxic effect. in addition, hexylresorcinol was transformed at a rate of 0.0025–0.025 mg/day after a single administration to mice [2].

IC 50

1.24 μm

References

[1] chen qx,ke ln,song kk,huang h,liu xd. inhibitory effects of hexylresorcinol and dodecylresorcinol on mushroom (agaricus bisporus) tyrosinase. protein j.2004 feb;23(2):135-41.
[2] margulis ab,ozhiganova iv,bushmanova ov,kolpakov ai,il'inskaia on. hexylresorcinol induces chromosome aberrations in mouse peripheral blood cells. genetika. 2005 aug;41(8):1045-8.

4-Hexylresorcinol Preparation Products And Raw materials

Raw materials

4-Hexanoylresorcinol Industrial hydrochloric acid Hexanoic acid Zinc chloride Resorcinol

Preparation Products

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4-Hexylresorcinol Suppliers

Americas 1 Belgium 3 China 256 Europe 3 France 1 Germany 12 India 45 Japan 5 Slovakia 1 South Korea 2 Switzerland 3 The Netherlands 1 United Kingdom 16 United States 50 Global 399
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View Lastest Price from 4-Hexylresorcinol manufacturers

HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD
Product
4-Hexylresorcinol 136-77-6
Price
US $1000.00-700.00/ton
Min. Order
1ton
Purity
99%
Supply Ability
5000
Release date
2024-08-14
Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
4-Hexylresorcinol 136-77-6
Price
US $150.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-04-26
Hebei Dangtong Import and export Co LTD
Product
4-Hexylresorcinol 136-77-6
Price
US $2877.00-2450.00/ton
Min. Order
1ton
Purity
99%
Supply Ability
500
Release date
2023-09-15

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