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99-76-3

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Identification

Name
Methylparaben
CAS
99-76-3
Synonyms
4-(carbomethoxy)phenol
4-HYDROXYBENZOIC ACID METHYL ESTER
4-HYDROXYBENZOIC ACID METYL ESTER
4-(methoxycarbonyl)phenol
AKOS BBS-00004393
FEMA 2710
metaben
methaben
METHYL 4-HYDROXYBENZOATE
methyl butex
METHYLIS PARAHYDROXYBENZOAS
METHYLPARABEN
Methyl parasept
METHYL P-HYDROXYBENZOATE
NIPAGIN
NIPAGIN PLAIN
P-HYDROXYBENZOIC ACID METHYL ESTER
RARECHEM AL BF 0098
4-hydroxy-benzoicacimethylester
Abiol
EINECS(EC#)
202-785-7
Molecular Formula
C8H8O3
MDL Number
MFCD00002352
Molecular Weight
152.15
MOL File
99-76-3.mol

Chemical Properties

Appearance
white crystalline powder
Melting point 
125-128 °C(lit.)

mp 
125-128 °C(lit.)

Boiling point 
298.6 °C
bp 
298.6 °C
density 
1,46g/cm
refractive index 
1.4447 (estimate)
FEMA 
2710
Fp 
280°C
storage temp. 
0-6°C
solubility 
ethanol: soluble0.1M, clear, colorless
form 
Crystalline Powder
color 
White to almost white
Stability:
Stable. Incompatible with strong oxidizing agents, strong bases.
Water Solubility 
Slightly soluble in water.
FreezingPoint 
131℃
Merck 
14,6107
BRN 
509801
InChIKey
LXCFILQKKLGQFO-UHFFFAOYSA-N
Contact allergens
This substance is one of the parabens family. Parabens are esters formed by p-hydroxybenzoic acid and an alcohol. They are largely used as biocides in cosmetics and toiletries, medicaments, or food. They have synergistic power with other biocides. Parabens can induce allergic contact dermatitis, mainly in chronic dermatitis and wounded skin.
Uses
Methylparaben is an antimicrobial agent which is a white free-flowing powder. it is active against yeast and molds over a wide ph range. see parabens.
Uses
parabens is one of the most commonly used group of preservatives in the cosmetic, pharmaceutical, and food industries. Parabens provide bacteriostatic and fungistatic activity against a diverse number of organisms, and are considered safe for use in cosmetics, particularly in light of their low sensitizing potential. An evaluation of preservatives for use in leave-on cosmetic preparations lists parabens among the least sensitizing. The range of concentrations used in cosmetics varies between 0.03 and 0.30 percent, depending on the conditions for use and the product to which the paraben is added.
CAS DataBase Reference
99-76-3(CAS DataBase Reference)
NIST Chemistry Reference
Benzoic acid, 4-hydroxy-, methyl ester(99-76-3)
EPA Substance Registry System
99-76-3(EPA Substance)

Hazard Information

Uses
It is used as preservative in foods, beverages and cosmetics.
Uses
As preservative in foods, beverages and cosmetics.
Definition
ChEBI: A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blu berries.
Hazard
Toxic. Use in foods restricted to 0.1%.

Safety Data

Hazard Codes 
Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
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 .
RIDADR 
UN 2769
WGK Germany 
1

RTECS 
DH2450000

TSCA 
Yes
HS Code 
29182930
Hazardous Substances Data
99-76-3(Hazardous Substances Data)

Raw materials And Preparation Products

Material Safety Data Sheet(MSDS)

Questions And Answer

Chemical properties
Methylparaben is a colourless crystalline powder that is odourless or has a faint characteristic odour and a slight burning taste. Slightly soluble in water, easily soluble in ethanol, ether, acetone and other organic solvents.One gram dissolves in 2.5 ml ethanol, in about 4 ml of propylene glycol, and in 400 ml of water at 25°C or about 50 ml of water at 80 a C. It is permissible at levels up to 0.1 % in soft drinks, non-leavened bakery products, and other products where it is generally used as a fungistat. From 1000 to 4000 ppm are required to inhibit Gram-positive bacteria. Like the benzoates, its effectiveness increases with decreasing pH.
Methylparaben
Methylparaben can by assayed by placing 2 g in a flask and adding 40.0 ml of I N NaOH (with rinsing of sides of flask with water). With a watch glass cover in place, boil gently for I h and cool. Add five drops of bromthymol blue T.S., and titrate the excess NaOH with 1 N H2S04 to pH 6.5 by matching the colour of pH 6.5 phosphate buffer containing the same proportion of indicator. Each ml of 1 N NaOH = 152.2 mg of methylparaben (National Academy of Sciences, 1963).
Uses
Methylparaben is the ester of methyl alcohol and p-hydroxybenzoic acid, It is a bacteriostatic agent and preservative that was added to local anesthetic agents without vasoconstrictors before 1984 to prevent bacterial growth.Allergic reactions developed from repeated exposures to parabens led to the removal of this agent from dental anesthetic solutions.
Similar products produced by similar production methods, like ethyl p-hydroxybenzoate (paraben B) and propyl p-hydroxybenzoate (Nepalese c), are also disinfectant preservatives.The products are irritating to the skin.
Content analysis
Method one: determinate according to the content analysis method in "butyl p-hydroxybenzoate (07002)". Per mL 1 mol/L sodium hydroxide is equivalent to the product (C8H8O3) 152.2mg.
Method two: Take 0.1 g (accurate to 1 mg) of the sample previously dried on silica gel for 5 h and move into a 300 ml flask with a glass plug. Plus l mol/L sodium hydroxide 10ml, heated in the water bath for 15min. After cooling, add 0.1mol/L potassium bromate 0.00ml, potassium bromide 5.0g and l mol/L hydrochloric acid 30ml. Put 15min in the dark room after sealing. Add potassium iodide 1 g, shake the flask vigorously, with 0.1mol/L sodium thiosulfate titration, with starch test solution (TS-235) as an indicator. Per ml 0.1mol/L potassium bromate is equivalent to the product (C8H8O3) 25.36mg.
Toxicity
ADI 0~10mg/kg(FAO/WHO,2001).
GRAS(FDA,§184.1490,2000).
LD503000mg/kg(Dog, mouth)
Utilization limitation
FAO/WHO (1984): Jam, jelly, 1000mg/kg (single or with benzoate, sorbic acid and potassium sorbate).
EEC(1990,mg/kg): For use in pigment solutions, flavor syrups, coffee extracts, frozen drinks, fruit, glucose and soft drinks, pickled fish, salad, sauce, snack food, concentrated soup and so on, limited to GMP; Beer 70; Snack cereals and soup concentrate 175, the same as "07018 p-hydroxybenzoate".
HACSG is listed as a restricted list.
FDA,§184.1490(2000):0.1%.
Preparation
The drug is esterified with p-hydroxybenzoic acid and methanol. The p-hydroxybenzoic acid was added to excess methanol to dissolve, stirring and adding concentrated sulfuric acid slowly. After heating and refluxing 10h, pour into the water to precipitate crystallization, then washed with water, sodium carbonate solution and water, finally obtain the crude product. Recrystallize from water or 25% ethanol to obtain finished product. The yield was 85%. Raw material consumption (kg/t): p-hydroxybenzoic acid 1200, methanol 1000.
Category
Toxic Chemicals
Toxic grading
Moderate toxicity
Acute toxicity
Abdomen-mouse LD50: 960 mg/kg
Flammability hazard characteristics
Combustible, excretes spicy smoke from fireground
Storage
Ventilated , low temperature and dry warehouse.
Extinguishing agent
Water, carbon dioxide, dry powder, sand.

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