CAS 99-76-3 Methylparaben, FCC - Materials / Alfa Chemistry

NAVIGATION

Methylparaben, FCC

PRICE INQUIRY

Catalog Number

ACM99763-2

CAS Number

99-76-3

Product Name

Methylparaben, FCC

Structure

Category

Pressure & Heat Sensitive Recording Materials

Description

Almost odourless, small colourless crystals or white crystalline powder;Solid

IUPAC Name

methyl 4-hydroxybenzoate

Molecular Weight

152.15g/mol

Molecular Formula

C8H8O3;C8H8O3

Canonical SMILES

COC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3

InChI Key

LXCFILQKKLGQFO-UHFFFAOYSA-N

Boiling Point

270.5 °C (decomposes)

Melting Point

131.0 °C;ofp-hydroxybenzoic acid derived from the sample is 213 °C to 217 °C after drying for two hours at 80 °C;Mp 131 ° (127-129 °);125.2 °C;131°C

Solubility

0.02 M;2.5 mg/mL at 25 °C;In water, 2.50X10+3 mg/L at 25 °C;Solubility in water (w/w): 0.25% at 20 °C; 0.30% at 25 °C;Solubilities in various solvents[Table#2969];Slightyl soluble in water; very soluble in ethanol, ether, acetone; soluble in trfluoroacetic acid;1 g dissolves in 40 mL warm oil, about 70 mL warm glycerol;Freely soluble in alcohol, methanol, acetone, ether;2.5 mg/mL at 25 °C

Application

Methylparaben, FCC, is primarily used as a preservative due to its antimicrobial properties, making it essential in the cosmetic, pharmaceutical, and food industries. Occurring naturally in fruits like blueberries and available in synthetic forms, it is effective against a wide range of microorganisms, particularly yeasts and molds. In cosmetics, methylparaben helps prolong the shelf life of products such as cleansers and moisturizers by providing bacteriostatic and fungistatic protection. It is particularly valued for its low sensitizing potential, even in leave-on formulations, and is used in concentrations ranging from 0.03 to 0.30 percent. The effectiveness of methylparaben is enhanced when used in combination with other parabens or agents like propylene glycol. Although it is slightly soluble in water, paraben salts, such as sodium methylparaben, are often used to improve solubility in various formulations.

Color/Form

White needles;Colorless crystals or white crystalline powder;Needles from dil alcohol

Complexity

136

Covalently-Bonded Unit Count

EC Number

243-171-5;202-785-7

Exact Mass

152.047344g/mol

Formal Charge

Heavy Atom Count

Log P

1.96 (LogP);1.96;log Kow = 1.96;1.96

MeSH Entry Terms

4-hydroxybenzoic acid methyl ester;methyl p-hydroxybenzoate;methyl-4-hydroxybenzoate;methylparaben;methylparaben, sodium salt;Nipagin

Monoisotopic Mass

152.047344g/mol

NSC Number

406127;3827

Odor

Odorless or has faint characteristic odor

Other Experimental

When heated to decomposition, emits acrid smoke and fumes;Henry's Law constant = 2.23X10-9 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.11X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

DH2450000

Stability

Stable under recommended storage conditions.;Parabens are stable against hydrolysis during autoclaving & resist saponification /Parabens/;Calcium salts /are/ stable; sodium salts /are/ unstable. /Parabens/

UNII

A2I8C7HI9T

Vapor Pressure

2.37X10-4 mm Hg at 25 °C (est)

XLogP3

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