Methylparaben supplier | CasNO.99-76-3

Name
Methylparaben
EINECS 202-785-7
CAS No. 99-76-3
Article Data362
CAS DataBase
Density 1.209 g/cm³
Solubility Slightly soluble in water.
Melting Point 125-128 °C(lit.)
Formula C₈H₈O₃
Boiling Point 265.5 °C at 760 mmHg
Molecular Weight 152.15
Flash Point 116.4 °C
Transport Information UN 2769
Appearance white crystalline powder
Safety 26-36-24/25
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms Methyl parahydroxybenzoate (JP14);Methylester kyseliny p-hydroxybenzoove [Czech];Sodium 4-carbomethoxyphenolate;Sodium methyl p-hydroxybenzoate;Methyl p-oxybenzoate;Methyl ester of p-hydroxybenzoic acid;Methyl parahydroxybenzoate;p-Carbomethoxyphenol;Benzoic acid,4-hydroxy-,esters,methyl ester;Preserval M;Methylparaben (TN);Methylparaben sodium [USAN];Sodium, (p-carboxyphenoxy)-, methyl ester (7CI);p-Oxybenzoesauremethylester [German];Methyl-4-hydroxybenzoate;methylparaben;methyl paraben; methyl p-hydroxybenzoate;methyl para-hydroxybenzoate;Methyl p-Hydroxybenzoate(Methyl paraben);Methyl-p-hydroxybenzoate;p-Methoxycarbonylphenol;Methyl chemosept;4-Hydroxybenzoic acid, methyl ester;Methyl p-hydroxybenzoate, sodium salt;EPA Pesticide Chemical Code 061201;Methyl Butex;p-Hydroxybenzoic acid, methyl ester;component of Heb-Cort MC;Benzoic acid, p-hydroxy-, methyl ester;Methylparaben [USAN];Benzoic acid, 4-hydroxy-, methyl ester;sodium 4-methoxycarbonylphenolate;p-Hydroxybenzoic methyl ester;4-(Methoxycarbonyl)phenol;p-Hydroxybenzoic acid methyl ester;Methyl Paraben;
PSA 46.53000
LogP 1.17880

Synthetic route

: 67-56-1
methanol

: 99-96-7
4-hydroxy-benzoic acid

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With boron trifluoride at 65℃; for 0.333333h;	100%
With sulfuric acid for 8h; Heating;	100%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; Mitsunobu reaction; chemoselective reaction;	100%

: 24262-66-6
methyl 4-acetoxybenzoate

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
silica gel; toluene-4-sulfonic acid In water; toluene at 80℃; for 6h;	100%
With phosphate buffer In diethyl ether for 2.75h; Ambient temperature; pig liver acetone powder;	100%
With ammonium acetate In methanol at 20℃; for 2.5h;	100%

: 67-56-1
methanol

: 123-08-0
4-hydroxy-benzaldehyde

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With oxygen at 80℃; under 3750.38 Torr; for 4h; Temperature; Reagent/catalyst; Pressure; Sealed tube;	99.3%
With perchloric acid; sodium percarbonate; vanadia for 1h; Cooling;	98%
With perchloric acid; dihydrogen peroxide; vanadia In water at 5℃; for 2.5h; oxidative esterification;	97%

: 74-88-4
methyl iodide

: 99-96-7
4-hydroxy-benzoic acid

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With potassium hydrogencarbonate In N,N-dimethyl-formamide at 40℃;	99%
Stage #1: 4-hydroxy-benzoic acid With sodium hydrogencarbonate In water at 20℃; for 1h; Stage #2: methyl iodide In N,N-dimethyl-formamide at 0 - 20℃;	95%
With potassium hydroxide at 220℃; im geschlossenen Rohr;
With N'',N'''''-1,8-naphthalenediyl bis[N,N,N',N'-tetramethyl]guanidine In N,N-dimethyl-formamide at 20℃; Kinetics;

: 137988-24-0
methyl 4-(cyanomethoxy)benzoate

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With hydrogen; platinum(IV) oxide In ethanol	99%

: 35750-24-4
methyl 4-allyloxybenzoate

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With aniline; (ϖ-allyl)palladium triflate based catalyst at 30℃; for 0.333333h;	99%
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;	95%
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;	95%

: 133642-20-3
4-(tert-butyldimethylsilanyloxy)benzoic acid methyl ester

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In water; acetonitrile at 20℃; for 0.166667h;	99%
With potassium hydroxide In ethanol at 20℃; for 0.7h;	95%
With sodium phosphate dodecahydrate In N,N-dimethyl-formamide at 20℃; for 2h; chemoselective reaction;	92%

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 540-38-5
4-Iodophenol

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With triethylamine at 100℃; under 3750.38 Torr; for 1.5h; Inert atmosphere;	99%
With triethylamine at 80℃; under 3750.38 Torr; for 3h; Autoclave;	75%
With triethylamine; G0-C2 PAMAM dendrimerPPh2PdMe2 at 105℃; under 5171.62 Torr; for 19h;	100 % Chromat.

...Expand

: 17763-71-2
4-carbomethoxyphenyl triflate

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 1h;	99%
With caesium carbonate In toluene at 80℃; for 15h;	87%
With ammonium acetate; methanol; magnesium; palladium on activated charcoal at 20℃; for 24h;	51%
With (1,2-dimethoxyethane)dichloronickel(II); N-isopropyl-N-tert-butylamine; N-tert-butoxycarbonyl-proline; 4,4'-di-tert-butyl-2,2'-bipyridine In dimethyl sulfoxide at 40℃; for 14h; Irradiation; Sealed tube;	27 %Spectr.

: 32122-11-5
4-benzyloxy-benzoic acid methyl ester

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With cyclohexa-1,4-diene; 3,6-bis(dimethylamino)-9H-carbazole; caesium carbonate In dimethyl sulfoxide at 23℃; for 44h; Inert atmosphere; Schlenk technique; Irradiation;	99%
With pentamethylbenzene,; boron trichloride In dichloromethane at -78℃; for 0.333333h;	97%
With thiophene; sodium hydrogen sulfate; silica gel for 6h; Heating;	96%

: 705254-34-8
potassium (4-(methoxycarbonyl)phenyl)trifluoroborate

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With Oxone; water In acetone at 20℃; for 0.0333333h;	99%

: 99768-12-4
4-methoxycarbonylphenylboronic acid

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In water; acetonitrile at 20℃; for 48h; Reagent/catalyst; Irradiation; Green chemistry;	99%
With N-ethyl-N,N-diisopropylamine In water; acetonitrile for 28h; Irradiation;	99%
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 20℃; under 760.051 Torr; for 27h; Irradiation; Green chemistry;	98%

: 1126-46-1
Methyl 4-chlorobenzoate

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; boric acid; palladium diacetate; caesium carbonate In 1-methyl-pyrrolidin-2-one at 80℃; for 24h; Catalytic behavior; Solvent; Reagent/catalyst; Schlenk technique; Inert atmosphere;	98%
With trans-di(μ-acetato)bis[o-(di-o-tolyl-phosphino)benzyl]dipalladium(II); C29H45Pt; potassium carbonate In water; N,N-dimethyl-formamide at 115℃; for 0.5h; Inert atmosphere; Microwave irradiation;	92%
With tris(6,6'-diamino-2,2'-bipyridine); 4,4-diphenyl-1,3,5,7,8-pentamethyl-2,6-diethyl-4-bora-3a,4a-diaza-s-indacene; Br2Ni*3H2O; water; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide; acetonitrile at 20℃; for 24h; Glovebox; Irradiation; Inert atmosphere;	79%

: 7722-84-1
dihydrogen peroxide

: 99768-12-4
4-methoxycarbonylphenylboronic acid

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With ammonium bicarbonate In water at 20℃; for 2h; Schlenk technique;	98%

: 616-38-6
carbonic acid dimethyl ester

: 99-96-7
4-hydroxy-benzoic acid

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With sulfuric acid at 80 - 85℃; for 7.5h; Neat (no solvent); chemoselective reaction;	97.6%
With NaY faujasite at 165℃; for 24h;	87%

: 4525-33-1
dimethyl dicarbonate

: 99-96-7
4-hydroxy-benzoic acid

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
magnesium(II) perchlorate In nitromethane at 40℃; for 16h;	97%

: 171364-80-0
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With water; caesium carbonate; hydrazine hydrate at 80℃; for 24h;	97%
With air at 25℃; for 16h; Inert atmosphere;	25 mg
With Oxone; potassium phosphate; naphthalene-2-boronic acid In water at 70℃; for 1h; chemoselective reaction;

: 133642-20-3
4-(tert-butyldimethylsilanyloxy)benzoic acid methyl ester

Cs2CO3: Cs2CO3

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide at 20℃; for 1h;	96%

: 139884-19-8
4-(methoxymethoxy)benzoic acid methyl ester

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 1h;	96%

: 1333925-55-5
4-allyloxycarbonyloxybenzoic acid methyl ester

: 75-33-2
2-propanethiol

A: 50996-72-0
allylisopropyl sulfide

B: 124-38-9
carbon dioxide

C: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With Roussin's red salt ester; tetrabutylammomium bromide; potassium hydride In tetrahydrofuran; ethanol at 40℃;	A n/a B n/a C 96%

...Expand

: 67-56-1
methanol

: 623-05-2
(4-hydroxyphenyl)methanol

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With palladium 10% on activated carbon; oxygen; sodium carbonate at 120℃; under 15001.5 Torr; for 1.5h; Microwave irradiation; Green chemistry;	96%
With sodium carbonate; palladium; silver(l) oxide at 80℃; for 48h; Molecular sieve;	85%
With oxygen at 79.84℃; under 3750.38 Torr; for 12h; Autoclave;

: 35387-93-0
3-iodo-4-methoxy-benzoic acid methyl ester

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane; ethanethiol for 6.5h; temp. 0 deg C -> RT;	95.1%

: 619-42-1
4-methoxycarbonylphenyl bromide

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; boric acid; palladium diacetate; caesium carbonate In 1-methyl-pyrrolidin-2-one at 80℃; for 24h; Schlenk technique; Inert atmosphere;	94%
With tris(6,6'-diamino-2,2'-bipyridine); 4,4-diphenyl-1,3,5,7,8-pentamethyl-2,6-diethyl-4-bora-3a,4a-diaza-s-indacene; Br2Ni*3H2O; water; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide; acetonitrile at 20℃; for 24h; Glovebox; Irradiation; Inert atmosphere;	89%
With nickel(II) sulphate; water; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 12h; pH=8.8; UV-irradiation; Inert atmosphere; Glovebox; Enzymatic reaction;	85%

: 24262-66-6
methyl 4-acetoxybenzoate

A: 2345-34-8
4-acetyloxy-benzoic acid

B: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; potassium carbonate; 2-amino-benzenethiol at 100℃; for 0.75h; Hydrolysis;	A 7% B 93%

: 4-(tert-butoxycarbonyloxy)benzoic acid methyl ester

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With methanol; carbon tetrabromide; triphenylphosphine for 18h; Reflux;	93%
With piperidine In dichloromethane at 20℃; for 4h;	92%

: 80937-33-3
oxygen

: 99768-12-4
4-methoxycarbonylphenylboronic acid

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With triethanolamine In water at 20℃; for 18h; Sonication; Irradiation; Green chemistry;	93%

: 1445-45-0
Trimethyl orthoacetate

: 99-96-7
4-hydroxy-benzoic acid

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
microwave irradiation;	92%

: 67-56-1
methanol

: 120-47-8
Ethyl 4-hydroxybenzoate

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With lanthanum complex grafted upon hydrotalcite for 8h; pH=10; Reflux;	92%
scandium tris(trifluoromethanesulfonate) at 64℃; for 168h;	81%
With C7H10N2O2Zn(2+)2C7H9N2O2(1-)*H2O at 75℃; for 24h; Catalytic behavior;	54 %Spectr.

: 75915-29-6
4-benzoyloxybenzoic acid methyl ester

A: 28547-23-1
4-(benzoyloxy)benzoic acid

B: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; potassium carbonate; 2-amino-benzenethiol at 100℃; for 0.75h; Hydrolysis; debenzoylation;	A 9% B 91%

: 100-44-7
benzyl chloride

: 99-76-3
methyl 4-hydroxylbenzoate

: 32122-11-5
4-benzyloxy-benzoic acid methyl ester

Conditions

Conditions	Yield
With iodide; potassium carbonate In acetone for 7h; Reflux;	100%
With sodium methylate
With sodium ethanolate

: 99-76-3
methyl 4-hydroxylbenzoate

: 106-95-6
allyl bromide

: 35750-24-4
methyl 4-allyloxybenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone at 65℃; for 20h;	100%
With potassium carbonate In dimethyl sulfoxide at 20℃; for 8h;	99%
With potassium carbonate In acetone Heating;	89%

: 99-76-3
methyl 4-hydroxylbenzoate

: 29415-97-2
methyl 3-bromo-4-hydroxybenzoate

Conditions

Conditions	Yield
With ammonium metavanadate; aluminum tri-bromide; oxygen In 1,4-dioxane at 80℃; for 18h;	100%
With bromine In acetic acid Ambient temperature;	99%
With bromine In dichloromethane at 20℃; for 24h;	95%

: 7766-50-9
1-undecen-11-ylbromide

: 99-76-3
methyl 4-hydroxylbenzoate

: 59100-35-5
4-undec-10-enyloxybenzoic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 4-hydroxylbenzoate With potassium carbonate In acetonitrile at 70℃; Inert atmosphere; Stage #2: 1-undecen-11-ylbromide In acetonitrile for 12h; Reflux; Inert atmosphere;	100%
With potassium carbonate In acetone Etherification;	94.9%
With potassium carbonate; potassium iodide In butanone for 12h; Williamson reaction; Reflux;	77.8%
With sodium methylate In methanol Heating;

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

: 99-76-3
methyl 4-hydroxylbenzoate

: 106342-09-0
4-methoxycarbonylphenyl 2-tetrahydropyranyl ether

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In acetone for 15h; Ambient temperature;	100%
With pyridinium p-toluenesulfonate In acetone at 20℃;	99%
With 1,5-dichloro-9,10-anthraquinone In dichloromethane for 0.5h; UV-irradiation;	90%

: 5460-29-7
2-(3-bromopropyl)isoindole-1,3-dione

: 99-76-3
methyl 4-hydroxylbenzoate

: 773875-80-2
methyl 4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propoxy]benzoate

Conditions

Conditions	Yield
Stage #1: methyl 4-hydroxylbenzoate With sodium hydride In dimethyl sulfoxide; mineral oil at 20℃; for 2h; Inert atmosphere; Stage #2: 2-(3-bromopropyl)isoindole-1,3-dione In dimethyl sulfoxide; mineral oil at 20℃; for 3.5h; Time; Inert atmosphere;	100%
Stage #1: methyl 4-hydroxylbenzoate With sodium hydride In dimethyl sulfoxide; mineral oil at 20℃; for 3h; Stage #2: 2-(3-bromopropyl)isoindole-1,3-dione In dimethyl sulfoxide; mineral oil at 20℃; for 70h;	89.3%
With sodium hydride 1.) DMF, 40 deg C, 1 h, 2.) DMF, 90 deg C, 5 h; Yield given. Multistep reaction;

: 100-39-0
benzyl bromide

: 99-76-3
methyl 4-hydroxylbenzoate

: 32122-11-5
4-benzyloxy-benzoic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 4-hydroxylbenzoate With potassium carbonate In acetone at 50℃; for 1h; Stage #2: benzyl bromide In acetone at 80℃; for 5h;	100%
Stage #1: methyl 4-hydroxylbenzoate With potassium carbonate In acetone at 50℃; for 1h; Stage #2: benzyl bromide In acetone at 80℃; for 5h;	100%
With potassium carbonate In acetone at 60℃;	100%

: 143-15-7
1-dodecylbromide

: 99-76-3
methyl 4-hydroxylbenzoate

: 40654-49-7
methyl 4-(dodecyloxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In acetonitrile for 24h; Heating;	100%
With potassium carbonate In N,N-dimethyl-formamide for 20h; Inert atmosphere; Reflux;	98%
Stage #1: methyl 4-hydroxylbenzoate With potassium carbonate In acetonitrile at 70℃; Inert atmosphere; Stage #2: 1-dodecylbromide In acetonitrile for 12h; Reflux; Inert atmosphere;	96%

: 358-23-6
trifluoromethylsulfonic anhydride

: 99-76-3
methyl 4-hydroxylbenzoate

: 17763-71-2
4-carbomethoxyphenyl triflate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;	100%
With pyridine In dichloromethane at 0 - 20℃; for 1h;	98%
With N-ethyl-N,N-diisopropylamine In dichloromethane at -78 - 0℃;	96%

: 99-76-3
methyl 4-hydroxylbenzoate

: 106-96-7
propargyl bromide

: 98260-05-0
methyl 4-(2-propynoxy)benzoate

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In acetone; toluene for 72h; Reflux;	100%
With potassium carbonate In acetone Inert atmosphere;	99%
With potassium carbonate In acetone at 65℃; for 18h; Inert atmosphere;	98%

: 99-76-3
methyl 4-hydroxylbenzoate

: 590-17-0
cyanomethyl bromide

: 137988-24-0
methyl 4-(cyanomethoxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone Heating;	100%
With potassium carbonate In acetone at 20℃;	95.8%

: 99-76-3
methyl 4-hydroxylbenzoate

: 3618-03-9, 6125-57-1, 17449-76-2
methyl 4-hydroxycyclohexanecarboxylate

Conditions

Conditions	Yield
With hydrogen; rhodium on aluminium In ethanol under 2327.2 Torr; for 96h;	100%
With hydrogen; Rh/Al2O3 In methanol under 2844.3 Torr; for 18h;	98%
With hydrogen; Rh on carbon In tetrahydrofuran under 76000 Torr; for 18h;	98%

: 112-29-8
1-bromo dodecane

: 99-76-3
methyl 4-hydroxylbenzoate

: 62443-10-1
methyl 4-decyloxybenzoate

Conditions

Conditions	Yield
Stage #1: methyl 4-hydroxylbenzoate With potassium carbonate In acetonitrile at 70℃; Inert atmosphere; Stage #2: 1-bromo dodecane In acetonitrile for 12h; Reflux; Inert atmosphere;	100%
With potassium carbonate In N,N-dimethyl-formamide for 20h; Inert atmosphere; Reflux;	96%
With potassium carbonate In acetonitrile for 12h; Reflux;	96%

: 26690-80-2
2-(N-tert-butoxycarbonylamino)ethanol

: 99-76-3
methyl 4-hydroxylbenzoate

: 174666-16-1
4-(2-tert-butoxycarbonylaminoethoxy)benzoic acid methyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 20℃; for 20h; Condensation;	100%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran for 5h;
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran for 5.16h;
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 20℃; for 17h; Cooling with ice;	0.45 g

: 99-76-3
methyl 4-hydroxylbenzoate

: 89151-44-0
4-(2-hydroxyethyl)piperidine-1-carboxylic acid tert-butyl ester

: 163209-93-6
methyl 4-(2-N-BOC-piperidin-4-ylethoxy)benzoate

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 20℃; for 20h; Condensation;	100%
With triphenylphosphine tagged with poly-(ethyleneglycol)-ω-monomethyl ether; diethyl azodicarboxylate tagged with poly-(ethyleneglycol)-ω-monomethyl ether In tetrahydrofuran for 20h; Mitsunobu reaction; Inert atmosphere;

: 99-76-3
methyl 4-hydroxylbenzoate

: 187409-84-3
3-(4-nitro)-benzoyl-2(3H)-benzothiazolone

: 79859-22-6
4-(4-nitro-benzoyloxy)-benzoic acid methyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 2h;	100%

: 3383-83-3, 59965-20-7, 72746-96-4, 79434-89-2
(S)-1-bromo-3,7-dimethyloctane

: 99-76-3
methyl 4-hydroxylbenzoate

: 886761-14-4
methyl 4-((S)-3,7-dimethyloctyloxy) benzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 4h; Inert atmosphere;	100%
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 4h; Inert atmosphere;	100%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 13h;	94%
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 110℃; Williamson etherification;

: 3647-69-6
4-(2-chloroethyl)morpholine hydrochride

: 99-76-3
methyl 4-hydroxylbenzoate

: 92501-87-6
methyl 4-(2-morpholinoethoxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 50℃;	100%
With caesium carbonate In acetonitrile at 80 - 85℃; for 4h; Inert atmosphere;	92%
With potassium carbonate In acetone Heating;

: 99-76-3
methyl 4-hydroxylbenzoate

: 75-26-3
isopropyl bromide

: 35826-59-6
methyl 4-isopropoxybenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone for 72h; Inert atmosphere; Reflux;	100%
With potassium carbonate In acetone for 72h; Inert atmosphere; Reflux;	100%
With potassium carbonate In acetone at 85℃; for 72h; Sealed tube;	94.7%
With sodium hydride In N,N-dimethyl-formamide at 60℃;	80%

: 107-14-2
chloroacetonitrile

: 99-76-3
methyl 4-hydroxylbenzoate

: 137988-24-0
methyl 4-(cyanomethoxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In acetone at 20 - 60℃; for 88h;	100%
With potassium carbonate; sodium iodide In acetone at 20 - 60℃; for 88h;	100%
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 4h;	98%

: 1-(tert-butoxycarbonyl)-(5R)-isopropyl-(2S)-pyrrolidinylmethanol

: 99-76-3
methyl 4-hydroxylbenzoate

: methyl 4-(1-(tert-butoxycarbonyl)-(5R)-isopropyl-(2S)-pyrrolidinylmethoxy)benzoate

Conditions

Conditions	Yield
With diisopropyl (E)-azodicarboxylate; triphenylphosphine In tetrahydrofuran; hexane; ethyl acetate	100%

: 3647-69-6
4-(2-chloroethyl)morpholine hydrochride

: 99-76-3
methyl 4-hydroxylbenzoate

: 134599-45-4
4-(2-morpholin-4-yl-ethoxy)-benzoic acid

Conditions

Conditions	Yield
Stage #1: methyl 4-hydroxylbenzoate With potassium carbonate In DMF (N,N-dimethyl-formamide) at 100℃; Stage #2: 4-(2-chloroethyl)morpholine hydrochride In DMF (N,N-dimethyl-formamide) at 100℃; for 2h;	100%

: 99-76-3
methyl 4-hydroxylbenzoate

: 107-05-1
3-chloroprop-1-ene

: 35750-24-4
methyl 4-allyloxybenzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃;	100%
With potassium carbonate In N,N-dimethyl-formamide at 50℃;	100%
With potassium carbonate In N,N-dimethyl-formamide at 50℃;	99%
Stage #1: methyl 4-hydroxylbenzoate With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.333333h; Inert atmosphere; Stage #2: 3-chloroprop-1-ene In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;	87%
With potassium carbonate In N,N-dimethyl-formamide at 80℃;	85.7%

: 62871-09-4
10-bromodec-1-ene

: 99-76-3
methyl 4-hydroxylbenzoate

: 117560-76-6
methyl 4-(dec-9-enyloxy)benzoate

Conditions

Conditions	Yield
Stage #1: methyl 4-hydroxylbenzoate With potassium carbonate In acetonitrile at 70℃; Inert atmosphere; Stage #2: 10-bromodec-1-ene In acetonitrile for 12h; Reflux; Inert atmosphere;	100%

: 99-76-3
methyl 4-hydroxylbenzoate

: 3355-28-0
1-Bromo-2-butyne

: 362705-52-0
methyl 4-(but-2-yn-1-yloxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate In butanone at 20℃; for 23h; Reflux;	100%
With potassium carbonate In butanone at 20℃; for 23h; Reflux;	100%
Stage #1: methyl 4-hydroxylbenzoate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 1h; Inert atmosphere; Stage #2: 1-Bromo-2-butyne In N,N-dimethyl-formamide; mineral oil at 19℃; for 20h; Inert atmosphere;	79%

: 3970-21-6
2-Methoxyethoxymethyl chloride

: 99-76-3
methyl 4-hydroxylbenzoate

: 906672-79-5
methyl 4-((2-methoxyethoxy)methoxy)benzoate

Conditions

Conditions	Yield
Stage #1: methyl 4-hydroxylbenzoate With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 0.333333h; Stage #2: 2-Methoxyethoxymethyl chloride In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 24h;	100%
Stage #1: methyl 4-hydroxylbenzoate With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 0.333333h; Stage #2: 2-Methoxyethoxymethyl chloride In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 24h;	100%

: 99-76-3
methyl 4-hydroxylbenzoate

: 18880-04-1
3,4-dichlorobenzyl bromide

: 84404-04-6
4-(3,4-dichloro-benzyloxy)-benzoic acid methyl ester

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 48h;	100%
With potassium carbonate In acetone at 65 - 80℃; for 5h;
With potassium carbonate In acetone at 80℃; for 5h;

: 74808-10-9, 86520-63-0, 87119-53-7, 92052-29-4, 121238-27-5, 127061-80-7, 142831-80-9
2,3,4,6-tetra-O-acetyl-d-glucopyranosyl trichloroacetimidate

: 99-76-3
methyl 4-hydroxylbenzoate

: 74950-95-1
4-(Methoxycarbonyl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

Conditions

Conditions	Yield
Stage #1: 2,3,4,6-tetra-O-acetyl-d-glucopyranosyl trichloroacetimidate; methyl 4-hydroxylbenzoate In dichloromethane at 0℃; for 0.166667h; Molecular sieve; Inert atmosphere; Stage #2: With boron trifluoride diethyl etherate In dichloromethane for 3h; Molecular sieve; Inert atmosphere;	100%

Methylparaben Specification

The Methylparaben, with the CAS registry number 99-76-3, is also known as Methyl p-hydroxybenzoate; 4-(Methoxycarbonyl)phenol.It belongs to the product categories of Developer;Functional Materials;Aromatics.Its EINECS number is 202-785-7.This chemical's molecular formula is C₈H₈O₃ and molecular weight is 152.15. What's more,Its systematic name is Benzoic acid,4-hydroxy-,methyl ester.Methylparaben is readily absorbed from the gastrointestinal tract or through the skin. It is hydrolyzed to p-hydroxybenzoic acid and rapidly excreted without accumulation in the body. In a population with normal skin, methylparaben is practically non-irritating and non-sensitizing; however, allergic reactions to ingested parabens have been reported. It can be found in many of the leading skin/face products.

Physical properties about Methylparaben are: (1)ACD/LogP: 1.882; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 15.83; (6)ACD/BCF (pH 7.4): 14.11; (7)ACD/KOC (pH 5.5): 251.25; (8)ACD/KOC (pH 7.4): 223.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 39.908 cm³; (14)Molar Volume: 125.756 cm³; (15)Surface Tension: 45.7929992675781 dyne/cm; (16)Density: 1.21 g/cm³; (17)Flash Point: 116.398 °C; (18)Enthalpy of Vaporization: 52.377 kJ/mol; (19)Boiling Point: 265.536 °C at 760 mmHg; (20)Vapour Pressure: 0.00600000005215406 mmHg at 25°C;

Uses of Methylparaben: Methylparaben is known to slow Drosophila growth rate in the larval and pupal stages. It is an antifungal that is widely used as a preservative for food, drugs, and cosmetics. Mycocten, and is commonly used as an anti-fungal agent in Drosophila food media.Methylparaben is an anti-fungal agent often used in hair gels. The compound is often found in carpules of local anaesthetic, acting as a bacteriostatic agent and preservative. Methylparaben (also called Nipigin M, Tegosept, and Mycocten) is commonly used as a fungicide in Drosophila food media. Usage of methylparaben is known to slow Drosophila growth rate in the larval and pupal stages.
The Methylparaben is harmful by inhalation, in contact with skin and if swallowed. It is Irritating to eyes,respiratory system and skin .when you use it ,wear suitable protective clothing,avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:COC(=O)c1ccc(cc1)O;
(2)Std. InChI:InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3;
(3)Std. InChIKey:LXCFILQKKLGQFO-UHFFFAOYSA-N.

The toxicity data of Methylparaben as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	3gm/kg (3000mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 81, 1974.
mouse	LD50	intraperitoneal	960mg/kg (960mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 260, 1956.
mouse	LD50	oral	> 8gm/kg (8000mg/kg)	BEHAVIORAL: ATAXIA PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 260, 1956.
mouse	LD50	subcutaneous	1200mg/kg (1200mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.
rabbit	LD50	oral	6gm/kg (6000mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 81, 1974.
rat	LD50	subcutaneous	> 500mg/kg (500mg/kg)		Clinical Toxicology. Vol. 4(2), Pg. 185, 1971.

Product Name

Methylparaben

Synthetic route

Methylparaben Specification

Related Products

Hot Products