Methyl 4-hydroxybenzoate

Methyl 4-hydroxybenzoate - Names and Identifiers

Name	Methyl 4-hydroxybenzoate
Synonyms	Abiol Septos Moldex Metaben Paridol Solbrol NIPAGIN Nipagin Metoxyde Maseptol Methaben NSC 3827 Solbrol M AI3-01336 Methylben HSDB 1184 Nipagin M Preserval Tegosept M CCRIS 3946 Aseptoform BRN 0509801 Preserval M Methyl butex NIPAGIN PLAIN Methylparaben FEMA No. 2710 Methyl paraben Methyl parasept FEMA Number 2710 METHYLPARABEN,NF Methyl chemosept METHYLPARABEN,FCC RARECHEM AL BF 0098 p-Carbomethoxyphenol Methyl p-oxybenzoate Methyl Hydroxybenzoate p-Methoxycarbonylphenol Methyl-4-hydroxybenzoate Methyl 4-hydroxybenzoate 4-HYDROXYLMETHYLBENZOATE Methyl-p-hydroxybenzoate Methyl p-hydroxybenzoate 4-(Methoxycarbonyl)phenol Methyl parahydroxybenzoate 4-hydroxy-2-methylbenzoate p-Oxybenzoesauremethylester p-Hydroxybenzoic acid methyl ester EPA Pesticide Chemical Code 061201 P-HYDROXYBENZOIC ACID METHYL ESTER 4-Hydroxybenzoic acid methyl ester 4-Hydroxybenzoic acid, methyl ester Methyl ester of p-hydroxybenzoic acid Benzoic acid, p-hydroxy-, methyl ester Benzoic acid, 4-hydroxy-, methyl ester Methylester kyseliny p-hydroxybenzoove 4-10-00-00360 (Beilstein Handbook Reference) 4-HYDROXYBENZOICACIDMETHYLESTER(METHYLPARABEN)
CAS	99-76-3
EINECS	202-785-7
InChI	InChI=1/C8H8O3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)/p-1
InChIKey	LXCFILQKKLGQFO-UHFFFAOYSA-N

Methyl 4-hydroxybenzoate - Physico-chemical Properties

Molecular Formula	C8H8O3
Molar Mass	152.15
Density	1,46g/cm
Melting Point	125-128 °C (lit.)
Boling Point	298.6 °C
Flash Point	280°C
Water Solubility	Slightly soluble in water.
Solubility	Slightly soluble in water, easily soluble in ethanol, ether, acetone and other organic solvents.
Vapor Presure	0.000005 hPa (20 °C)
Appearance	White needle crystal
Color	White to almost white
Merck	14,6107
BRN	509801
pKa	pKa 8.15(H2O,t =20.0) (Uncertain)
PH	5.8 (H2O, 20°C) (saturated solution)
Storage Condition	room temp
Stability	Stable. Incompatible with strong oxidizing agents, strong bases.
Sensitive	Easily absorbing moisture
Refractive Index	1.4447 (estimate)
MDL	MFCD00002352
Physical and Chemical Properties	Properties: White needle-like crystals or colorless crystals slightly soluble in water, soluble in ethanol, ether, acetone and other organic solvents
Use	Used as food, cosmetics and pharmaceutical mildewproofing agent

Methyl 4-hydroxybenzoate - Risk and Safety

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36 - Irritating to the eyes
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. S39 - Wear eye / face protection.
UN IDs	UN 2769
WGK Germany	1
RTECS	DH2450000
TSCA	Yes
HS Code	29182930
Toxicity	LD50 orally in Rabbit: 2100 mg/kg

Methyl 4-hydroxybenzoate - Reference

Reference

1. Zhang Yueyang, an Liping, Yuan Guangxin, etc. Study on preparation technology of deer bone cucumber seed polypeptide oral liquid [J]. Chinese Medicine Guide, 2017, 023(006):40-42.
2. Nobus, Adel, and Ali Akremi. "Experimental measurements, equilibrum study and model correlation of methyl paraben in ethanol and methanol aquatic solutions from =(293.15 to 323.15) K." Journal of Molecular Liquids 293 (2019): 111505.http://doi.org/10.10
3. [IF = 6.165] Adel Noubigh et al."Experimental measurements, equilibrium study and model correlation of methyl paraben in ethanol and methanol aqueous solutions from = (293.15 to 323.15) K."J Mol Liq. 2019 Nov;293:111505

Methyl 4-hydroxybenzoate - Standard

Authoritative Data Verified Data

This product is methyl 4-hydroxybenzoate, from methyl alcohol and parabens. Calculated as dry, containing C8H80 3 should be 98.0% ~ 102.0%.

Last Update：2024-01-02 23:10:35

Methyl 4-hydroxybenzoate - Trait

Authoritative Data Verified Data

This product is white or off-white crystalline or crystalline powder.
This product is soluble in methanol, ethanol or ether, soluble in hot water, slightly soluble in water.

melting point

The melting point of this product (General 0612) is 125~128°C.

Last Update：2022-01-01 11:25:46

Methyl 4-hydroxybenzoate - Differential diagnosis

Authoritative Data Verified Data

in the chromatogram recorded under the content determination item, the retention time of the main peak of the test solution should be consistent with the retention time of the main peak of the reference solution.
take this product, dissolve and dilute with ethanol to make about 5 ml solution per lm l, and determine by UV-Vis spectrophotometry (General 0401), there is an absorption maximum at a wavelength of 258Nm.
The infrared absorption spectrum of this product should be consistent with the control spectrum (Spectrum set 853).

Last Update：2022-01-01 11:25:47

Methyl 4-hydroxybenzoate - Exam

Authoritative Data Verified Data

acidity

take 2ml of the solution under the items of clarity and color, add 2m l of ethanol and 5 m l of water, shake well, add 2 drops of bromocresol green indicator solution, with sodium hydroxide titration solution (O .lm o l/L) titration to blue, consumption of sodium hydroxide titration solution (0. lm o l/L) should not pass 0. lml.

clarity and color of solution

take this product l .O g, after dissolving with 0901 of ethanol, check according to law (General rule 0902 and general rule), the solution should be clear and colorless, it shall not be deeper than the yellow or yellow-green standard colorimetric solution No. 1 (General rule 0901 method 1).

chloride

take 2.0g of this product, add 50ml of water, 80X: water bath heating for 5 minutes, let cool, filter; Take the filtrate 5.0, check according to law (General rule 0801), with standard sodium chloride solution 7. Compared with the control solution made of 0M l, it should not be more concentrated (0. 035%).

sulfate

take 25ml of filtrate under chloride item and check according to law (pass 0802). Compared with the control solution made of 2. 4ml of standard potassium sulfate solution, it should not be more concentrated (0. 024%).

Related substances

take this product, add the mobile phase to dissolve and dilute the solution containing lm g per lm l as the test solution; Take lm l with precision and put it in a 100ml measuring flask, the mobile phase was diluted to the scale, and the solution was used as a control solution. According to the chromatographic conditions under the content determination item, 20 ml of the control solution is taken and injected into the human liquid chromatograph to adjust the detection sensitivity so that the peak height of the main component peak is about 25% of the full scale; then 20 ^ 1 of the test solution and the control solution were accurately measured, and the human liquid chromatograph was injected respectively, and the chromatogram was recorded to 4 times of the retention time of the main peak. If the impurity peak is shown in the chromatogram of the test solution, the area of the single impurity peak shall not be greater than 0 of the area of the main peak of the control solution. 4 times (0 .4% ), the sum of each impurity peak area shall not be greater than 0. 8 times (0. 8%).

fermentation broth

take an appropriate amount of this product, precision weighing, add an appropriate amount of N ,N-dimethylformamide, immediately shake to dissolve and dilute to make about O per lm l. lg of the solution, as the test solution; Another precision weighing the appropriate amount of methanol, plus JV ,N-dimethylformamide dissolved and diluted to make each lm l containing methanol 0 .3M g of solution, as a control solution. 0861 dimethylpolysiloxane was used as stationary liquid as determined by residual solvent determination method (General 100% third method); The starting temperature was 40°C, and the temperature was raised to 80°C at a rate of 15°C per minute for 5 minutes, then the temperature was raised to 130°C at a rate of every minute for 1 minute, and then raised to 220°C at a rate of 40°C per minute for 3 minutes; The temperature of the injection port was 200°C; the detector temperature was 250°C. 1ul of the reference solution is injected into the gas chromatograph, and the separation degree between peaks of each component shall meet the requirements. Take 1ul of each sample solution and reference solution respectively, inject human gas chromatograph, record chromatogram, calculate by peak area according to external standard method, and should not exceed 0.3%.

loss on drying

take this product, put it in a silica gel dryer, and dry it under reduced pressure to constant weight. The weight loss shall not exceed 0831 (general rule).

ignition residue

The l .O g of this product shall be taken for inspection according to law (General rule 0841), and the remaining residue shall not exceed.

Heavy metals

The residue left under the ignition residue item shall not contain more than 20 parts per million of heavy metals as determined by law (general chapter 0821 second method).

arsenic salt

take this product l.O g, add calcium hydroxide l.O g, mix, add a small amount of water, stir evenly, after drying, first burn with small fire to charring, then burn at 500~600°C to completely Ash and cool, add hydrochloric acid 5M l and water 23ML, according to the law inspection (General Principles 0822 The first law), should comply with the provisions (0.0002%).

Last Update：2022-01-01 11:25:48

Methyl 4-hydroxybenzoate - Content determination

Authoritative Data Verified Data

measured by high performance liquid chromatography (General 0512).

chromatographic conditions and system applicability test using eighteen alkyl silane bonded silica gel as filler; Methanol -1% glacial acetic acid (60 : 40) as mobile phase, the detection wavelength was 254mn. Weigh the appropriate amount of the reference substance of methyl hydroxybenzoate and ethyl hydroxybenzoate, add the mobile phase to dissolve and dilute to make a solution containing 10 gm/l, inject 20ul into human liquid chromatograph, record the chromatogram, the degree of separation between the methyl paraben peak and the ethyl paraben peak should meet the requirements.
determination method: take an appropriate amount of this product, precisely weigh it, add mobile phase to dissolve and quantitatively dilute it to make methyl oxybenzoate O in each lm l. lm g solution, the precise amount of 20ul injected into the liquid chromatograph, record the chromatogram; Another appropriate amount of methyl hydroxybenzoate reference substance, the same method for determination. According to the external standard method to calculate the peak area, that is.

Last Update：2022-01-01 11:25:49

Methyl 4-hydroxybenzoate - Category

Authoritative Data Verified Data

pharmaceutical excipients, bacteriostatic agents.

Last Update：2022-01-01 11:25:49

Methyl 4-hydroxybenzoate - Storage

Authoritative Data Verified Data

sealed storage.

Last Update：2022-01-01 11:25:49

Methyl 4-hydroxybenzoate - Reference Information

FEMA	2710 \| METHYL P-HYDROXYBENZOATE
freezing point	131 ℃
LogP	1.98 at 20℃
NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
properties	white crystalline powder or colorless crystals, soluble in alcohol, ether and acetone, very slightly soluble in water, boiling point 270-280 °c.
Use	methylparaben is mainly used as a sterilization preservative in organic synthesis, food, cosmetics, medicine, and also used as a feed preservative. preservatives; Antimicrobial agents. used as preservative, also used in medicine and organic synthesis used as food, cosmetics and medicine fungicide used as antiseptic fungicide in pharmaceutical industry, also used in organic synthesis and food, spices, film, etc. Similar production methods for the production of similar products of ethyl paraben (paraben B), propyl paraben (paraben C), are also Disinfection antiseptic. The product is irritating to the skin. antiseptic bactericide. Insect cell culture grade is used to study the biosynthesis of steroid hormones, such as testerones. bactericidal preservative. Studies on the synthesis of steroid hormones.
content analysis	method 1 according to the content analysis method in "butyl paraben (07002). Each mL of 1 mol/L sodium hydroxide equivalent to this product (C8H8O3)152.2mg. Method 2 a sample of 0.1g (accurate to 1 mg), which had been previously dried on silica gel for 5H, was transferred into a ml flask with a stopper. 10ml of 1 mol/L sodium hydroxide was added and heated in a water bath for 15min. After cooling, 0.1 ml of 50.00 mol/L potassium bromate, 5.0g of potassium bromide and 30ml of 1mol/L hydrochloric acid were added. After tamponade, it was placed in the dark room for 15min. 1g of potassium iodide was added, the flask was vigorously shaken, and the mixture was titrated with 0.1mol/L sodium thiosulfate using a starch test solution (TS-235) as an indicator. Each ml0.1mol/L potassium bromate equivalent to this product (C8H8O3)25.36mg.
toxicity	ADI 0-10mg/kg(FAO/WHO,2001). GRAS(FDA,§ 184.1490,2000). LD503000mg/kg (dog, oral).
usage limit	FAO/WHO(1984); Jam, jelly, 1000mg/kg (single or with benzoic acid salts, sorbic acid and potassium sorbate dosage). EEC(1990,mg/kg): Ready for color solution, flavoring syrup, coffee extract, frozen beverages, fruit climbing, glucose and soft drinks, pickled fish, salad, sauce, snack food, concentrated soup, etc., limited to GMP; Beer 70; Snack cereal and soup concentrate 175, the rest with "07018 propyl p-hydroxybenzoate". HACSG is listed as a restricted list. FDA,§ 184.1490(2000):0.1%.
production method	is obtained by esterification of p-Hydroxybenzoic acid with methanol. P-Hydroxybenzoic acid was added to excess methanol to dissolve, and concentrated sulfuric acid was slowly added with stirring. After heating and refluxing for 10h, the crystals were precipitated in water, washed with water, sodium carbonate solution and water, and the crude product was obtained. The final product was recrystallized from water or 25% ethanol. The yield was 85%. Feed consumption (kg/t) P-Hydroxybenzoic acid 1200 methanol 1000 obtained by esterification of p-Hydroxybenzoic acid with methanol in the presence of sulfuric acid.
category	toxic substances
toxicity grade	poisoning
Acute toxicity	intraperitoneal-mouse LD50: 960 mg/kg
flammability hazard characteristics	flammable, spicy and irritating smoke
storage and transportation characteristics	warehouse low temperature, ventilation, dry
extinguishing agent	water, carbon dioxide, dry powder, sand
spontaneous combustion temperature	>600°C
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)

Last Update：2024-04-30 12:42:04

Changsha Changtang import and Export Co., Ltd.

Methyl 4-hydroxybenzoate

Methyl 4-hydroxybenzoate

CAS: 99-76-3

Molecular Formula: C8H8O3

Methyl 4-hydroxybenzoate - Names and Identifiers

Methyl 4-hydroxybenzoate - Physico-chemical Properties

Methyl 4-hydroxybenzoate - Risk and Safety

Methyl 4-hydroxybenzoate - Reference

Methyl 4-hydroxybenzoate - Standard

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Trait

Authoritative Data Verified Data

melting point

Methyl 4-hydroxybenzoate - Differential diagnosis

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Exam

Authoritative Data Verified Data

acidity

clarity and color of solution

chloride

sulfate

Related substances

fermentation broth

loss on drying

ignition residue

Heavy metals

arsenic salt

Methyl 4-hydroxybenzoate - Content determination

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Category

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Storage

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Reference Information

Supplier List

Methyl 4-hydroxybenzoate Request for Quotation

Methyl 4-hydroxybenzoate

CAS: 99-76-3

Molecular Formula: C8H8O3

Methyl 4-hydroxybenzoate - Names and Identifiers

Methyl 4-hydroxybenzoate - Physico-chemical Properties

Methyl 4-hydroxybenzoate - Risk and Safety

Methyl 4-hydroxybenzoate - Reference

Methyl 4-hydroxybenzoate - Standard

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Trait

Authoritative Data Verified Data

melting point

Methyl 4-hydroxybenzoate - Differential diagnosis

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Exam

Authoritative Data Verified Data

acidity

clarity and color of solution

chloride

sulfate

Related substances

fermentation broth

loss on drying

ignition residue

Heavy metals

arsenic salt

Methyl 4-hydroxybenzoate - Content determination

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Category

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Storage

Authoritative Data Verified Data

Methyl 4-hydroxybenzoate - Reference Information

Supplier List

Methyl 4-hydroxybenzoate