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

NAVIGATION

Methylparaben, NF

PRICE INQUIRY

Catalog Number

ACM99763-1

CAS Number

99-76-3

Product Name

Methylparaben, NF

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, NF, serves as a highly effective antimicrobial preservative, widely utilized in the cosmetic, pharmaceutical, and food industries. Its primary purpose is to extend the shelf life of various products by providing bacteriostatic and fungistatic activity against a broad spectrum of organisms. Notably, it occurs naturally in fruits such as blueberries and can be synthesized for commercial use. In cosmetics, methylparaben is incorporated in concentrations ranging from 0.03 to 0.30 percent, depending on the specific product and conditions, and is deemed safe due to its low sensitizing potential. It is particularly valued for its antifungal and antibacterial properties, which help maintain the effectiveness of skincare, haircare, and beauty products like cream cleansers, moisturizers, primers, and foundations. Additionally, methylparaben can be used alone or in combination with other parabens to enhance preservation, especially in formulations where its poor solubility is addressed by using paraben salts or combining it with agents like propylene glycol.

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

If you have any other questions or need other size, please get a quote.