3-Methoxyphenol supplier | CasNO.150-19-6

Name
3-Methoxyphenol
EINECS 205-754-6
CAS No. 150-19-6
Article Data266
CAS DataBase
Density 1.109 g/cm³
Solubility slightly soluble in water
Melting Point -17 °C
Formula C₇H₈O₂
Boiling Point 244.3 °C at 760 mmHg
Molecular Weight 124.139
Flash Point 119.1 °C
Transport Information UN 2810 6.1/PG 3
Appearance Clear pink red liquid
Safety 26-36/37/39
Risk Codes 20/21/22-36/38-41-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms m-Hydroxyanisol;m-Hydroxyanisole;m-Methoxyphenol;Phenol,m-methoxy- (8CI);1-Hydroxy-3-methoxybenzene;3-Hydroxyanisole;NSC 21735;Resorcinol methyl ether;Resorcinol monomethylether;m-Guaiacol;
PSA 29.46000
LogP 1.40080

Synthetic route

: 3-methoxybenzenediazonium tetrafluoroborate

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With water Heating;	100%

: 10365-98-7
3-methoxyphenylboronic acid

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With oxygen; triethylamine In 2-methyltetrahydrofuran at 20℃; under 760.051 Torr; for 24h; Green chemistry;	99%
With pyrene-1,6-dione; oxygen; isopropyl alcohol at 20℃; under 760.051 Torr; for 40h; Irradiation; Green chemistry;	98%
With C18H28Cl2CuN2O4 In water at 26℃; for 0.333333h;	96%

: C13H23NOSi

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride; dihydrogen peroxide; potassium hydrogencarbonate In tetrahydrofuran; methanol; water at 20℃; for 16h; Inert atmosphere;	99%

: 766-85-8
3-methoxy-1-iodobenzene

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With β-D-glucose; copper(II) acetate monohydrate; potassium hydroxide In water; dimethyl sulfoxide at 20 - 120℃; for 24h;	99%
With copper(I) oxide; water; potassium carbonate; Sucrose at 140℃; for 18h; Sealed tube; Inert atmosphere;	92%
With copper(l) iodide; triethanolamine; tetrabutylammomium bromide; water; potassium hydroxide at 120℃; for 24h; Inert atmosphere;	89%

: 151-10-0
1,3-Dimethoxybenzene

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With 1,3-dimethyl-2-imidazolidinone; sodium hexamethyldisilazane In tetrahydrofuran at 185℃; for 12h; further reagent: LDA;	98%
With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; N-methylaniline In diethyl ether; xylene at 120℃; for 6.5h;	95%
With lithium thioethoxide In N,N-dimethyl-formamide at 135℃; for 0.25h; Inert atmosphere; Microwave irradiation;	90%

: 2398-37-0
3-methoxyphenyl bromide

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With potassium hydroxide; tris-(dibenzylideneacetone)dipalladium(0); tert-butyl XPhos In 1,4-dioxane; water at 100℃; for 1.5h;	98%
With copper(I) oxide; tetra(n-butyl)ammonium hydroxide; 1,10-phenanthroline-4,7-diol In water at 110℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube; Green chemistry;	96%
With copper(l) iodide; potassium hydroxide In water at 120℃; for 12h; Inert atmosphere;	90%

: 77-78-1
dimethyl sulfate

: 108-46-3
recorcinol

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium hydroxide In water; toluene at 20℃; Solvent;	96.8%
With sodium hydrogencarbonate at 50℃; for 1h; Williamson synthesis;	80%
With sodium hydrogencarbonate at 60℃; for 1h;	79%

: 5451-83-2
acetic acid 3-methoxyphenyl ester

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With silica-supported phosphomolybdic acid In methanol at 20℃; for 2h;	96%
With potassium carbonate In methanol at 20℃;	50%
With methanol; potassium carbonate at 20℃;	50%

: 10365-98-7
3-methoxyphenylboronic acid

: 7722-84-1
dihydrogen peroxide

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With ammonium bicarbonate In water at 20℃; for 2h; Schlenk technique;	96%

: C10H12O4

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 20℃; for 1h;	95%

: 21144-16-1
3-benzyloxyanisole

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 60℃; for 4h; Inert atmosphere;	94%
With sodium In N,N,N,N,N,N-hexamethylphosphoric triamide at 100℃; for 2h;	92%
With 1,3-dimethyl-2-imidazolidinone; lithium diisopropyl amide In tetrahydrofuran; n-heptane; ethylbenzene at 185℃; for 12h;	91%

: 37592-19-1
3-allyloxyanisole

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With sodium tetrahydroborate; zirconium(IV) chloride In tetrahydrofuran at 0 - 35℃; Hydrolysis;	94%
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 20℃; for 4h; Inert atmosphere;	93%
With sodium tetrahydroborate; nickel(II) chloride hexahydrate In methanol at 0℃;	87%

: 67-56-1
methanol

: 108-43-0
3-monochlorophenol

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
Irradiation;	94%
Mechanism; Irradiation; other substituted phenols, other nucleophiles, competition reaction with methanol and N-methylacetamide;	94%

: 67-56-1
methanol

: 372-20-3
3-fluorophenol

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
Irradiation;	94%

: 62790-77-6
1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methoxybenzene

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With potassium fluoride; hydrogen bromide In N,N-dimethyl-formamide at 25℃; for 2h;	93%

: potassium 3-methoxyphenyltrifluoroborate

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With Oxone; water In acetone at 20℃; for 0.0333333h;	93%
With caesium carbonate; toluene-4-sulfonic acid hydrazide at 120℃; for 16h;	85%

: 72540-74-0
2-Cyclohexenyl-m-anisylether

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With 6,6'-dimethyl-2,2'-bipyridine; (1,2-dimethoxyethane)dichloronickel(II); bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide; water at 30℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;	93%

: 34114-37-9
2-(5-methoxyphenoxy)-ethanol

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 100℃; for 3h; Schlenk technique;	92%

: 536-90-3
m-Anisidine

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
Stage #1: m-Anisidine With sulfuric acid at 20℃; Cooling with ice; Stage #2: With sodium nitrite In water Reflux;	91%
Stage #1: m-Anisidine With tetrafluoroboric acid In water at 20℃; for 0.0333333h; Stage #2: With sodium nitrite In water at 0℃; for 0.5h; Stage #3: With copper(I) oxide; copper(II) sulfate In water at 0 - 20℃; for 0.5h;	66%

: 41580-72-7
m-methoxyphenyl 2-propynyl ether

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at 20℃; for 0.25h;	90%

: 10536-50-2
1-methoxy-3-vinyloxybenzene

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With 6,6'-dimethyl-2,2'-bipyridine; (1,2-dimethoxyethane)dichloronickel(II); bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide; water at 30℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;	90%
With acetic acid In water for 0.5h; Reflux;	90%
With [2,2]bipyridinyl; (1,2-dimethoxyethane)dichloronickel(II); water; bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide at 30℃; for 24h; Schlenk technique;	87%

: 104886-22-8
1-(but-3-enyloxy)-3-methoxybenzene

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With [2,2]bipyridinyl; (1,2-dimethoxyethane)dichloronickel(II); water; bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide at 30℃; for 24h; Schlenk technique;	90%
With 6,6'-dimethyl-2,2'-bipyridine; (1,2-dimethoxyethane)dichloronickel(II); bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide; water at 30℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;	90%

: 3-hydroxy-2-(4-methoxyphenoxy)-1-(3-methoxyphenyl)propan-1-one

A: 150-19-6
O-methylresorcine

B: 2880-58-2
2-methoxy-1,4-benzoquinone

C: 3-methoxyphenyl 3-hydroxy-2-(4-methoxyphenoxy)propanoate

Conditions

Conditions	Yield
With methanesulfonic acid; dihydrogen peroxide In water; acetonitrile at 50℃; for 6h; Flow reactor; Green chemistry;	A 3% B 86% C 10%

...Expand

: 151-10-0
1,3-Dimethoxybenzene

A: 150-19-6
O-methylresorcine

B: 108-46-3
recorcinol

Conditions

Conditions	Yield
With hydrogen iodide at 25℃; for 24h; Inert atmosphere;	A 12% B 85%
With copper(I) oxide; sodium methylate In methanol at 185℃; for 12h; Autoclave;	A 50% B 43%

: 3753-53-5
3-methoxyphenyl benzenesulfonate

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With potassium hydroxide In toluene; tert-butyl alcohol at 100℃; for 0.5h; Inert atmosphere;	85%

: 2-(3-methoxyphenoxy)-1-(3-methoxyphenyl)propane-1,3-diol

A: 150-19-6
O-methylresorcine

B: 586-38-9
3-Methoxybenzoic acid

Conditions

Conditions	Yield
With oxygen; sodium t-butanolate In tert-butyl alcohol at 30℃; under 760.051 Torr; for 16h; Green chemistry; chemoselective reaction;	A 85% B 95 %Spectr.

: 2845-89-8
1-chloro-3-methoxy-benzene

: 150-19-6
O-methylresorcine

Conditions

Conditions	Yield
With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; tris-(dibenzylideneacetone)dipalladium(0); cesiumhydroxide monohydrate In 1,4-dioxane at 110℃; Inert atmosphere; Glovebox; Sealed tube;	84%
Stage #1: 1-chloro-3-methoxy-benzene With copper(l) iodide; 8-Hydroxyquinoline-N-oxide In dimethyl sulfoxide at 20℃; for 0.166667h; Inert atmosphere; Stage #2: With cesiumhydroxide monohydrate In water; dimethyl sulfoxide for 24h; Inert atmosphere; Reflux;	69%

: 2-(3-methoxyphenoxy)-1-(4-methoxyphenyl)propane-1,3-diol

A: 150-19-6
O-methylresorcine

B: 100-09-4
4-methoxybenzoic acid

Conditions

Conditions	Yield
With oxygen; sodium t-butanolate In tert-butyl alcohol at 30℃; under 760.051 Torr; for 16h; Green chemistry; chemoselective reaction;	A 84% B 89 %Spectr.

: 3-hydroxy-2-(2-methoxyphenoxy)-1-(3-methoxyphenyl)propan-1-one

A: 150-19-6
O-methylresorcine

B: 2880-58-2
2-methoxy-1,4-benzoquinone

C: 3-methoxyphenyl 3-hydroxy-2-(2-methoxyphenoxy)propanoate

Conditions

Conditions	Yield
With methanesulfonic acid; dihydrogen peroxide In water; acetonitrile at 50℃; for 6h; Flow reactor; Green chemistry;	A 3% B 84% C 11%

...Expand

: 110-87-2
3,4-dihydro-2H-pyran

: 150-19-6
O-methylresorcine

: 30778-86-0
1-methoxy-3-tetrahydropyran-2-yloxybenzene

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In dichloromethane for 1h; Ambient temperature;	100%
With toluene-4-sulfonic acid In tetrahydrofuran at 0℃; for 0.25h;	98%
With basic resin Amberlite IRA-400 (iodide form) In dichloromethane at 20℃; for 0.0833333h;	92%

: 150-19-6
O-methylresorcine

: 638-07-3
ethyl (2-chloroaceto)acetate

: 41295-55-0
4-(chloromethyl)-7-methoxy-2H-chromen-2-one

Conditions

Conditions	Yield
With methanesulfonic acid at 20℃;	100%
With silica gel supported zirconyl chloride octahydrate at 90℃; for 0.5h; Pechmann condensation reaction;	96%
With perchloric acid; sulfuric acid at 25℃;	95.2%

: 150-19-6
O-methylresorcine

: 63604-94-4
2-bromo-5-methoxyphenol

Conditions

Conditions	Yield
With benzyltriphenylphosphonium peroxodisulfate; potassium bromide In acetonitrile for 4h; Heating;	100%
With N-Bromosuccinimide In dichloromethane at 20℃; for 2h;	98%
With N-benzyl-N,N-dimethyl anilinium peroxodisulfate; potassium bromide In acetonitrile for 3.5h; Reflux; chemoselective reaction;	96%

: 150-19-6
O-methylresorcine

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 33285-71-1
1-methoxy-3-(trimethylsiloxy)benzene

Conditions

Conditions	Yield
at 80℃; for 3h; Inert atmosphere;	100%
With Nafion SAC-13 at 20℃; for 0.0833333h;	98%
In nitromethane at 20℃; for 0.25h;	95%

: 150-19-6
O-methylresorcine

: 100-39-0
benzyl bromide

: 21144-16-1
3-benzyloxyanisole

Conditions

Conditions	Yield
With potassium carbonate In acetone for 12h; Reflux; Sealed tube;	100%
With potassium carbonate In acetonitrile for 12h; Reflux;	91%
With potassium carbonate In acetonitrile Reflux;	87%

: 150-19-6
O-methylresorcine

: 358-23-6
trifluoromethylsulfonic anhydride

: 66107-33-3
3-methoxyphenyl triflate

Conditions

Conditions	Yield
Stage #1: O-methylresorcine With pyridine In dichloromethane at 0℃; for 0.0833333h; Inert atmosphere; Schlenk technique; Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 0 - 20℃; for 18h; Inert atmosphere; Schlenk technique;	100%
With pyridine In dichloromethane at 0℃; for 0.333333h;	97%
With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere;	93%

: 150-19-6
O-methylresorcine

: 95715-87-0
(R)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyloxazolidine

: 925703-63-5
tert-butyl (R)-4-((R)-hydroxy(2-hydroxy-4-methoxyphenyl)methyl)-2,2-dimethyloxazolidine-3-carboxylate

Conditions

Conditions	Yield
Stage #1: O-methylresorcine With methylmagnesium chloride In tetrahydrofuran at 20℃; for 0.166667h; Stage #2: (R)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyloxazolidine In dichloromethane at 0 - 20℃; for 15h;	100%

: 150-19-6
O-methylresorcine

: 4-bromomethyl-4-(4-bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

: 917899-09-3
4-(4-bromo-phenyl)-4-(3-methoxy-phenoxymethyl)-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 50 - 100℃; for 28h;	100%

: 150-19-6
O-methylresorcine

: 615-36-1
2-bromoaniline

: C21H20N3O2Pol

Conditions

Conditions	Yield
With pyridine; copper(I) bromide dimethylsulfide complex; sodium carbonate In acetonitrile at 75℃; for 48h; Inert atmosphere; solid phase reaction;	100%

: 150-19-6
O-methylresorcine

: 350-30-1
3-chloro-4-fluoronitrobenzene

: 708238-38-4
2-chloro-1-(3-methoxyphenoxy)-4-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 17h;	100%
With potassium hydroxide In acetonitrile at 40℃;	81.9%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h;

: 150-19-6
O-methylresorcine

: 4-methoxymethoxy-2-naphthalencarboxylic acid

: C20H18O5

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 1.5h; Inert atmosphere;	100%

: 150-19-6
O-methylresorcine

: 5469-26-1
1-Bromopinacolon

: 39489-42-4
1-(3-methoxyphenoxy)-3,3-dimethylbutan-2-one

Conditions

Conditions	Yield
With potassium carbonate In acetone at 70℃; for 16h;	99%
With potassium carbonate

: 150-19-6
O-methylresorcine

: 3888-00-4
nitropentafluoroacetone

: 123716-14-3
2-(2,2-Difluoro-1-hydroxy-2-nitro-1-trifluoromethyl-ethyl)-5-methoxy-phenol

Conditions

Conditions	Yield
In tetrachloromethane at 20℃; for 12h;	99%

: 150-19-6
O-methylresorcine

: 434-90-2
decafluorobiphenyl

: 85225-65-6
p,p'-bis(3-methoxyphenoxy)octafluorobiphenyl

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 6h;	99%

: 150-19-6
O-methylresorcine

: 1194-02-1
4-fluorobenzonitrile

: 148291-60-5
4-(3’-methoxyphenoxy)benzonitrile

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 72h; Heating;	99%
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 72h; Heating;	99%
With potassium carbonate In dimethyl sulfoxide at 120℃; for 18h;	98%
With caesium carbonate In N,N-dimethyl-formamide for 24h; Reflux;	78%

: 150-19-6
O-methylresorcine

: 394-47-8
2-fluorobenzonitrile

: 135199-38-1
2-(3-methoxyphenoxy)benzonitrile

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 72h; Heating;	99%
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 72h; Heating;	99%

: 150-19-6
O-methylresorcine

: 94088-46-7
2-fluoro-6-methoxybenzonitrile

: 2-Methoxy-6-(3-methoxy-phenoxy)-benzonitrile

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 36h; Heating;	99%
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 36h; Heating;	99%

: 150-19-6
O-methylresorcine

: 175204-11-2
2-fluoro-6-[(4-methylphenyl)sulfanyl]benzonitrile

: 2-(3-Methoxy-phenoxy)-6-p-tolylsulfanyl-benzonitrile

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 18h; Heating;	99%

: 150-19-6
O-methylresorcine

: 106-96-7
propargyl bromide

: 41580-72-7
m-methoxyphenyl 2-propynyl ether

Conditions

Conditions	Yield
In acetone; toluene at 20℃;	99%
With potassium carbonate In N,N-dimethyl-formamide; toluene at 20℃; for 7h; Inert atmosphere;	97%
With potassium carbonate In N,N-dimethyl-formamide; toluene at 20℃; for 7h; Inert atmosphere;	97%

: 150-19-6
O-methylresorcine

: 2-fluoro-6-[(4-methylthio)phenoxy]benzonitrile

: 2-(3-Methoxy-phenoxy)-6-(4-methylsulfanyl-phenoxy)-benzonitrile

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; 18-crown-6 ether In acetonitrile for 18h; Heating;	99%

: 150-19-6
O-methylresorcine

: 3433-80-5
1-Bromo-2-bromomethyl-benzene

: 309254-29-3
1-bromo-2-((3-methoxyphenoxy)methyl)benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone at 50℃;	99%
Stage #1: O-methylresorcine With sodium hydride In tetrahydrofuran for 0.5h; Metallation; Heating; Stage #2: 1-Bromo-2-bromomethyl-benzene In tetrahydrofuran for 4h; Etherification; Heating; Further stages.;	97%

: 150-19-6
O-methylresorcine

: 591-50-4
iodobenzene

: 1655-68-1
1-methoxy-3-phenoxybenzene

Conditions

Conditions	Yield
With 2,2,6,6-tetramethylheptane-3,5-dione; iron(III) chloride; caesium carbonate In N,N-dimethyl-formamide at 135℃; for 20h;	99%
With copper(II) glycinate monohydrate; potassium hydroxide In dimethyl sulfoxide at 80℃; for 8h; Ullmann reaction;	92%
With potassium hydroxide In dimethyl sulfoxide at 100℃; for 18h; Inert atmosphere;	89%

: 150-19-6
O-methylresorcine

: 94878-41-8
1-(diphenylmethyl)-1H-indole-2,3-dione

: 1019771-93-7
1-(diphenylmethyl)-3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Stage #1: O-methylresorcine With isopropylmagnesium chloride In tetrahydrofuran at 0℃; for 0.75h; Stage #2: 1-(diphenylmethyl)-1H-indole-2,3-dione In dichloromethane at 0 - 20℃; for 16h;	99%

: 150-19-6
O-methylresorcine

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

: 54245-26-0
3-methoxy-7,8,9,10-tetrahydro-6H-dibenzopyran-6-one

Conditions

Conditions	Yield
In trifluoroacetic acid at 100℃; for 0.5h; Pechmann reaction; microwave irradiation;	99%

: 150-19-6
O-methylresorcine

: diphenyliodonium tetrafluoroborate

: 1655-68-1
1-methoxy-3-phenoxybenzene

Conditions

Conditions	Yield
Stage #1: O-methylresorcine With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Stage #2: diphenyliodonium tetrafluoroborate In tetrahydrofuran at 20℃; for 3h;	99%

3-Methoxyphenol Consensus Reports

Reported in EPA TSCA Inventory.

3-Methoxyphenol Specification

The Resorcinol monomethyl ether is an organic compound with the formula C₇H₈O₂. The IUPAC name of this chemical is 3-methoxyphenol. With the CAS registry number 150-19-6, it is also named as 1-Hydroxy-3-methoxybenzene. The product's category is Aromatic Ethers. It is clear pink red liquid which is slightly soluble in water and stable under normal temperature and pressure. Additionally, thsi chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.35; (6)ACD/BCF (pH 7.4): 8.3; (7)ACD/KOC (pH 5.5): 158.97; (8)ACD/KOC (pH 7.4): 157.95; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 34.81 cm³; (14)Molar Volume: 111.8 cm³; (15)Polarizability: 13.8×10^-24 cm³; (16)Surface Tension: 38.6 dyne/cm; (17)Enthalpy of Vaporization: 50.08 kJ/mol; (18)Vapour Pressure: 0.0196 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 3; (21)Exact Mass: 124.05243; (22)MonoIsotopic Mass: 124.05243; (23)Topological Polar Surface Area: 29.5; (24)Heavy Atom Count: 9; (25)Complexity: 83.

Preparation of Resorcinol monomethyl ether: It can be obtained by 1,3-dimethoxy-benzene. This reaction needs reagent AlCl₃ and NaI at temperature of 70-80 °C. The reaction time is 4.0 hours. The yield is 70%.

Uses of Resorcinol monomethyl ether: It can react with acetoacetic acid ethyl ester to get 7-methoxy-4-methyl-chromen-2-one. This reaction which is a kind of Pechmann condensation needs reagent [bmim]Cl*2AlCl₃ at temperature of 30 °C. The reaction time is 10 min. The yield is 92%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Oc1cccc(OC)c1
2. InChI:InChI=1/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
3. InChIKey:ASHGTJPOSUFTGB-UHFFFAOYAE

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TCLo	inhalation	230ug/m³/22W (0.23mg/m³)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: HEADACHE BEHAVIORAL: IRRITABILITY	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(3), Pg. 108, 1972.
mammal (species unspecified)	LD50	oral	597mg/kg (597mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mammal (species unspecified)	LD50	skin	682mg/kg (682mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mouse	LC50	inhalation	11500mg/m³/4H (11500mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 105, 1982.
mouse	LD50	intraperitoneal	320mg/kg (320mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 185, 1957.
mouse	LD50	oral	312mg/kg (312mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(3), Pg. 108, 1972.
rat	LC50	inhalation	11500mg/m³/4H (11500mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 105, 1982.
rat	LD50	oral	597mg/kg (597mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(3), Pg. 108, 1972.
rat	LD50	skin	682mg/kg (682mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(3), Pg. 108, 1972.

Product Name

3-Methoxyphenol

Synthetic route

3-Methoxyphenol Consensus Reports

3-Methoxyphenol Specification

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