4-Hexylresorcinol supplier

Name
4-Hexyl-1,3-benzenediol
EINECS 205-257-4
CAS No. 136-77-6
Article Data15
CAS DataBase
Density 1.049 g/cm³
Solubility 0.05 g/100 mL (18 °C) in water
Melting Point 65-67 °C(lit.)
Formula C₁₂H₁₈O₂
Boiling Point 329.5 °C at 760 mmHg
Molecular Weight 194.274
Flash Point 155.2 °C
Transport Information
Appearance slightly red powder
Safety 22-36/37/38-20/21/22
Risk Codes 22-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Resorcinol,4-hexyl- (8CI);1,3-Dihydroxy-4-hexylbenzene;4-(1-Hexyl)resorcinol;4-Hexyl-1,3-dihydroxybenzene;4-Hexylresorcine;4-Hexylresorcinol;4-n-Hexylresorcinol;Adrover;Antascarin;Ascaricid;Ascarinol;Ascaryl;
PSA 40.46000
LogP 3.22060

Synthetic route

: 3144-54-5
4-hexanoylresorcinol

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol at 80℃; under 11251.1 Torr; Reagent/catalyst; Autoclave;	86.2%
With hydrogenchloride; amalgamated zinc In ethanol	67%
With hydrogenchloride; amalgamated zinc In ethanol; water Heating;

: 4-hex-2-enyl-resorcinol

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
With ethanol; platinum Hydrogenation;

4-caproyl-resorcinol: 4-caproyl-resorcinol

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc
With hydrogenchloride; amalgamated zinc

: 142-61-0
Hexanoyl chloride

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aluminum chloride / nitrobenzene / cooling 2: zinc amalgamate; conc. hydrochloric acid / ethanol; H2O / Heating View Scheme
Multi-step reaction with 2 steps 1: 68 percent / aluminum chloride / nitrobenzene 2: 67 percent / zinc amalgame, hydrochloric acid / ethanol View Scheme

: 108-46-3
recorcinol

diazotized. 2.5-diamino-p-cymene: diazotized. 2.5-diamino-p-cymene

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aluminum chloride / nitrobenzene / cooling 2: zinc amalgamate; conc. hydrochloric acid / ethanol; H2O / Heating View Scheme

: 108-46-3
recorcinol

acid: acid

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 68 percent / aluminum chloride / nitrobenzene 2: 67 percent / zinc amalgame, hydrochloric acid / ethanol View Scheme

: 34686-76-5
1-bromo-2-hexene

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: K2CO3; acetone 2: ethanol; platinum / Hydrogenation View Scheme

: 108-46-3
recorcinol

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: K2CO3; acetone 2: ethanol; platinum / Hydrogenation View Scheme
Multi-step reaction with 2 steps 1: zinc(II) chloride / 6 h / 95 - 100 °C 2: zinc; hydrogenchloride / ethanol View Scheme

: 95-48-7
ortho-cresol

: 108-46-3
recorcinol

: 111-27-3
hexan-1-ol

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
With sulfuric acid In di-isopropyl ether

...Expand

: 142-62-1
hexanoic acid

: 136-77-6
4-Hexylresorcinol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: zinc(II) chloride / 6 h / 95 - 100 °C 2: zinc; hydrogenchloride / ethanol View Scheme

: 136-77-6
4-Hexylresorcinol

: 95-55-6
2-amino-phenol

: 18102-12-0
5-N-hexyl-2,2',4-trihydroxyazobenzene

Conditions

Conditions	Yield
Stage #1: 2-amino-phenol With hydrogenchloride; sodium nitrite In water at 5℃; for 0.166667h; Stage #2: 4-Hexylresorcinol With sodium hydroxide In water at 5℃; Cooling with ice; Stage #3: With hydrogenchloride In water	100%

: 136-77-6
4-Hexylresorcinol

: 121-88-0
2-Amino-5-nitrophenol

: 1204504-04-0
5-N-hexyl-2,2',4-trihydroxy-4'-nitro-azobenzene

Conditions

Conditions	Yield
Stage #1: 5-Nitro-2-aminophenol With hydrogenchloride; sodium nitrite In water at 5℃; for 0.166667h; Stage #2: 4-Hexylresorcinol With sodium hydroxide In water at 5℃; Cooling with ice; Stage #3: With hydrogenchloride In water	100%

: 2161-86-6
2,4-diacetylphloroglucinol

: 136-77-6
4-Hexylresorcinol

: 63411-88-1
1-(5-hexyl-2,4-dihydroxyphenyl) ethan-1-one

Conditions

Conditions	Yield
With acyltransferase from bacterium Pseudomonas sp.YGJ3 In aq. phosphate buffer; dimethyl sulfoxide at 35℃; for 18h; pH=7.5; Friedel-Crafts Acylation; Enzymatic reaction; regioselective reaction;	99%

: 2466-76-4
N-Acetylimidazole

: 136-77-6
4-Hexylresorcinol

: 63411-88-1
1-(5-hexyl-2,4-dihydroxyphenyl) ethan-1-one

Conditions

Conditions	Yield
With acyltransferase from bacterium Pseudomonas sp.YGJ3 In aq. phosphate buffer at 35℃; for 18h; pH=7.5; Friedel-Crafts Acylation; Enzymatic reaction; regioselective reaction;	97%

: 136-77-6
4-Hexylresorcinol

: 74-88-4
methyl iodide

: 17715-58-1
3-hexyl-2,6-dimethoxybenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone at 0℃; Reflux;	95%

: 1867-38-5
4-chlorobenzylidenemalonodinitrile

: 136-77-6
4-Hexylresorcinol

: 2-amino-6-(n-hexyl)-7-hydroxy-4-(4-chlorophenyl)-4H-chromene-3-carbonitrile

Conditions

Conditions	Yield
With piperidine In ethanol for 0.25h; Heating;	89%

: 29214-60-6
ethyl 2-acetyloctanoate

: 136-77-6
4-Hexylresorcinol

: 3,6-dihexyl-7-hydroxy-4-methylcoumarin

Conditions

Conditions	Yield
With sulfuric acid at 0 - 5℃; for 4h;	86%

: 136-77-6
4-Hexylresorcinol

: 2698-43-3
2-(2-fluorobenzylidene)malononitrile

: 111861-33-7
2-Amino-4-(2-fluoro-phenyl)-6-hexyl-7-hydroxy-4H-chromene-3-carbonitrile

Conditions

Conditions	Yield
With morpholine In acetone for 0.0833333h; Heating;	85%

: 31643-49-9
4-Nitrophthalonitrile

: 136-77-6
4-Hexylresorcinol

: C28H22N4O2

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 85℃; for 5h;	85%

: 136-77-6
4-Hexylresorcinol

: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

: 7-hydroxy-3-ethyl-6-hexyl-4-methylcoumarin

Conditions

Conditions	Yield
With sulfuric acid; trifluoroacetic acid at 0 - 5℃; Pechmann Condensation; Inert atmosphere;	85%

: 136-77-6
4-Hexylresorcinol

: 140-29-4
phenylacetonitrile

: 96643-98-0
5-hexyl-2,4-dihydroxy-deoxybenzoin

Conditions

Conditions	Yield
With hydrogenchloride; boron trifluoride diethyl etherate; water 1.) halogen chloride passed 10h, 10h room temperature, 2.) 90 deg C, pH=1, 60 min;	83%

: 2826-22-4
4-fluorobenzylidenemalononitrile

: 136-77-6
4-Hexylresorcinol

: 111861-35-9
2-Amino-4-(4-fluoro-phenyl)-6-hexyl-7-hydroxy-4H-chromene-3-carbonitrile

Conditions

Conditions	Yield
With morpholine In acetone for 0.0833333h; Heating;	79%

: 136-77-6
4-Hexylresorcinol

: 3490-92-4
methyl 2-cyano-3,3-bis(methylsulfanyl)acrylate

: 6-hexyl-7-hydroxy-4-(methylthio)-2-oxo-2H-chromene-3-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 4h;	78%

: 2698-41-1
o-chlorobenzylidene malononitrile

: 136-77-6
4-Hexylresorcinol

: 111861-36-0
2-Amino-4-(2-chloro-phenyl)-6-hexyl-7-hydroxy-4H-chromene-3-carbonitrile

Conditions

Conditions	Yield
With morpholine In acetone for 0.0833333h; Heating;	75%

: 136-77-6
4-Hexylresorcinol

: 75-36-5
acetyl chloride

: 63411-88-1
1-(5-hexyl-2,4-dihydroxyphenyl) ethan-1-one

Conditions

Conditions	Yield
With aluminium trichloride In nitrobenzene	75%
With aluminium trichloride In 1,2-dichloro-ethane at 65℃; for 5h;

: 2826-32-6
3-nitrobenzylidenemalononitrile

: 136-77-6
4-Hexylresorcinol

: 111861-37-1
2-Amino-6-hexyl-7-hydroxy-4-(3-nitro-phenyl)-4H-chromene-3-carbonitrile

Conditions

Conditions	Yield
With morpholine In acetone for 0.0833333h; Heating;	74%

: 136-77-6
4-Hexylresorcinol

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 37470-87-4
2,4-dihydroxy-5-hexylbenzaldehyde

Conditions

Conditions	Yield
Stage #1: N,N-dimethyl-formamide With trichlorophosphate at -5℃; for 1h; Stage #2: 4-Hexylresorcinol at 20℃; for 12h;	73%
Stage #1: N,N-dimethyl-formamide With trichlorophosphate at -5℃; for 1h; Stage #2: 4-Hexylresorcinol at 20℃; for 1h;	73%
With sodium hydroxide; trichlorophosphate Yield given. Multistep reaction;

: 1121-60-4
pyridine-2-carbaldehyde

: 136-77-6
4-Hexylresorcinol

: 137300-41-5
bis(2,4-dihydroxy-5-hexyl-1-phenyl)(2-pyridyl)methane

Conditions

Conditions	Yield
With hydrogenchloride In methanol	72%

: 136-77-6
4-Hexylresorcinol

: 107-07-3
2-chloro-ethanol

: 107152-13-6
1,3-bis(2-hydroxyethoxy)-4-n-hexylbenzene

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water for 96h; Heating;	72%

: 136-77-6
4-Hexylresorcinol

: 93-91-4
1-phenylbutan-1,3-dione

: 6-hexyl-7-hydroxy-4-methylflavylium chloride

Conditions

Conditions	Yield
With hydrogenchloride In acetic acid at 20℃; for 12h;	71%

: 327-92-4
1,5-difluoro-2,4-dinitrobenzene

: 136-77-6
4-Hexylresorcinol

: 823-40-5
2,6-Diaminotoluene

: 1246084-43-4
22-hexyl-26-methyl-4,6,16,18-tetranitro-8,14-diaza-2,20-dioxacalix[4]arene

Conditions

Conditions	Yield
Stage #1: 1,5-difluoro-2,4-dinitrobenzene; 2,6-toluenediamine With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 40℃; for 2h; Stage #2: 4-Hexylresorcinol In N,N-dimethyl-formamide at 70℃; for 2h;	71%

...Expand

: 2700-22-3
Benzylidenemalononitrile

: 136-77-6
4-Hexylresorcinol

: 111861-32-6
2-Amino-6-hexyl-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile

Conditions

Conditions	Yield
With morpholine In acetone for 0.0833333h; Heating;	70%

: 136-77-6
4-Hexylresorcinol

: 80772-98-1
6-nitro-1,2,4-triazolo[1,5-a]pyrimidine

: 126554-14-1
4-Hexyl-6-(6-nitro-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,3-diol

Conditions

Conditions	Yield
In butan-1-ol for 0.5h; Heating;	70%

: 136-77-6
4-Hexylresorcinol

: 42823-46-1
4-guanidinobenzoic acid hydrochloride

: 89035-73-4
4-((Aminoiminomethyl)amino)benzoic acid 4-hexyl-3-hydroxyphenyl ester

Conditions

Conditions	Yield
With pyridine; toluene-4-sulfonic acid; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide Ambient temperature;	69%

: 136-77-6
4-Hexylresorcinol

: 100-52-7
benzaldehyde

: 137300-47-1
bis(2,4-dihydroxy-5-hexyl-1-phenyl)phenylmethane

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 40℃;	68%

: 327-92-4
1,5-difluoro-2,4-dinitrobenzene

: 136-77-6
4-Hexylresorcinol

: 1949-55-9
methyl 3,5-diaminobenzoate

: 1246084-41-2
11-carbomethoxy-22-hexyl-4,6,16,18-tetranitro-8,14-diaza-2,20-dioxacalix[4]arene

Conditions

Conditions	Yield
Stage #1: 1,5-difluoro-2,4-dinitrobenzene; methyl 3,5-diaminobenzoate With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25℃; for 2h; Stage #2: 4-Hexylresorcinol In N,N-dimethyl-formamide at 60℃; for 2h;	68%

...Expand

: 136-77-6
4-Hexylresorcinol

: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 6-Hexyl-7-hydroxy-4-phenyl-chromen-2-one

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 105 - 108℃; for 0.333333h;	67.3%

: 136-77-6
4-Hexylresorcinol

: 2826-24-6
4-bromobenzylidenemalononitrile

: 87947-30-6
2-amino-4-(4-bromophenyl)-6-hexyl-7-hydroxy-3-cyano-4H-benzopyran

Conditions

Conditions	Yield
With morpholine In ethanol Heating;	67%
With morpholine In acetone for 0.0833333h; Heating;	65%

: 2972-71-6
3-fluorobenzylidenemalononitrile

: 136-77-6
4-Hexylresorcinol

: 111861-34-8
2-Amino-4-(3-fluoro-phenyl)-6-hexyl-7-hydroxy-4H-chromene-3-carbonitrile

Conditions

Conditions	Yield
With morpholine In acetone for 0.0833333h; Heating;	67%

4-Hexylresorcinol Chemical Properties

IUPAC Name: 4-Hexylbenzene-1,3-diol
Molecular Weight: 194.27012 [g/mol]
Molecular Formula: C₁₂H₁₈O₂
XLogP3: 3.5
H-Bond Donor: 2
H-Bond Acceptor: 2
EINECS: 205-257-4
Product Categories: Miscellaneous
Solubility: chloroform: 50 mg/mL, clear
Water Solubility: 0.05 g/100 mL (18 ºC)
Stability: Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.
Index of Refraction: 1.54
Molar Refractivity: 58.09 cm³
Molar Volume: 185.1 cm³
Surface Tension: 42.6 dyne/cm
Density: 1.049 g/cm³
Flash Point: 155.2 °C
Enthalpy of Vaporization: 59.47 kJ/mol
Boiling Point: 329.5 °C at 760 mmHg
Vapour Pressure: 9.25E-05 mmHg at 25 °C
Appearance: slightly red powder
Melting Point: 65-67 °C(lit.)
Classification Code of 4-Hexylresorcinol (CAS NO.136-77-6): Anthelmintic; Anthelmintics; Anti-Infective Agents; Antiparasitic Agents; Drug / Therapeutic Agent; Mutation data; Reproductive Effect; Skin / Eye Irritant; Tumor data

4-Hexylresorcinol Uses

4-Hexylresorcinol (CAS NO.136-77-6) is used as an antiseptic, commonly employed in a dilution of 1:1000. It commonly can be used on small skin infections, or as an ingredient in throat lozenges. It has the same lightening effect as 2% hydroquinone over an 8 week period in vivo studies conducted on Synovea HR 4-Hexylresorcinol.

4-Hexylresorcinol Production

In the manutacture of 4-Hexylresorcinol (CAS NO.136-77-6), resorcinol and caproic acid are heated with a condensing agent, such as zinc chloride, and the intermediate ketone derivative is formed, which is purified by vacuum distillation. After reduction with zinc amalgam and hydrochloric acid, impure 4-Hexylresorcinol is formed, which can be purified by vacuum distillation.

4-Hexylresorcinol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LDLo	oral	400mg/kg (400mg/kg)	Proceedings of the Society for Experimental Biology and Medicine. Vol. 28, Pg. 609, 1931.
mouse	LD50	intraperitoneal	335mg/kg (335mg/kg)	Japanese Kokai Tokyo Koho Patents. Vol. #90-292213,
mouse	LD50	oral	1040mg/kg (1040mg/kg)	Pharmazie. Vol. 30, Pg. 147, 1975.
mouse	LDLo	subcutaneous	750mg/kg (750mg/kg)	"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 148, 1959.
mouse	LDLo	unreported	100mg/kg (100mg/kg)	Annals of Tropical Medicine and Parasitology. Vol. 32, Pg. 177, 1938.
rat	LD50	oral	550mg/kg (550mg/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 198, 1935.

4-Hexylresorcinol Consensus Reports

Reported in EPA TSCA Inventory.

4-Hexylresorcinol Safety Profile

A poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. An eye irritant. Concentrated solutions can cause burns on the skin and mucous membranes in humans. An anthelmintic and topical antiseptic. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: Xn
Risk Statements: 22-36/37/38-20/21/22
22: Harmful if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 26-36-24/25
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
24/25: Avoid contact with skin and eyes
WGK Germany: 3
RTECS: VH1575000

4-Hexylresorcinol Specification

4-Hexylresorcinol (CAS NO.136-77-6), its Synonyms are 1,3-Dihydroxy-4-hexylbenzene ; 1,3-Dihydroxy-4-n-hexylbenzene ; 4-(1-Hexyl)resorcinol ; 4-Hexyl-1,3-benzenediol ; 4-Hexyl-1,3-dihydroxybenzene ; 4-Hexylresorcine ; 4-4-Hexylresorcinol ; 4-n-4-Hexylresorcinol ; Crystoids ; Cystoids anthelmintic ; Worm-agen ; p-4-Hexylresorcinol .

Product Name

4-Hexyl-1,3-benzenediol

Synthetic route

4-Hexylresorcinol Chemical Properties

4-Hexylresorcinol Uses

4-Hexylresorcinol Production

4-Hexylresorcinol Toxicity Data With Reference

4-Hexylresorcinol Consensus Reports

4-Hexylresorcinol Safety Profile

4-Hexylresorcinol Specification

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