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

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Methylparaben

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Catalog Number

ACM99763-3

CAS Number

99-76-3

Product Name

Methylparaben

Structure

Category

Pressure & Heat Sensitive Recording Materials

Synonyms

Methyl-4-hydroxybenzoat

Description

Methylparaben, also methyl paraben, one of the parabens, is a preservative with the chemical formula CH3(C6H4(OH)COO). It is the methyl ester of p-hydroxybenzoic acid.

IUPAC Name

Methyl 4-hydroxybenzoate

Molecular Weight

152.15

Molecular Formula

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

298.6 °C

Melting Point

125-128 °C (lit.)

Flash Point

280 °C

Purity

98%

Density

1.46 g/ml

Solubility

Slightly soluble in water

Appearance

White powder

Application

Methylparaben serves as a crucial antimicrobial preservative widely utilized across the cosmetic, food, and pharmaceutical industries. Its primary purpose is to extend the shelf life of products by providing bacteriostatic and fungistatic protection against a wide range of microorganisms. This colorless or white crystalline powder, which is either odorless or nearly so, is favored for its low sensitizing potential and is most effective at concentrations ranging from 0.03 to 0.30 percent in cosmetic applications. As one of the most common parabens, methylparaben naturally occurs in fruits like blueberries and can be synthesized for broader use. Its ability to maintain product effectiveness makes it an essential component in beauty products like cleansers, moisturizers, and foundations, as well as various food items. The antimicrobial efficacy of methylparaben is particularly pronounced against yeasts and molds, making it a preferred choice for maintaining the quality and safety of several consumer goods.

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

152.047344113

Formal Charge

Heavy Atom Count

Log P

1.17880

MDL Number

MFCD00002352

MeSH Entry Terms

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

Monoisotopic Mass

152.047344113

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)

Refractive Index

n20/D 1.4447(lit.)

Rotatable Bond Count

RTECS Number

DH2450000

Stability

Stable. Incompatible with strong oxidizing agents, strong bases.

Storage Conditions

Room Temperature

Topological Polar Surface Area

46.5 Å²

UNII