Product Name
Methylparaben
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
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
Melting Point
125-128 °C (lit.)
Solubility
Slightly soluble in water
Color/Form
White needles;Colorless crystals or white crystalline powder;Needles from dil alcohol
Covalently-Bonded Unit Count
1
EC Number
243-171-5;202-785-7
MeSH Entry Terms
4-hydroxybenzoic acid methyl ester;methyl p-hydroxybenzoate;methyl-4-hydroxybenzoate;methylparaben;methylparaben, sodium salt;Nipagin
Monoisotopic Mass
152.047344113
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.)
Stability
Stable. Incompatible with strong oxidizing agents, strong bases.
Storage Conditions
Room Temperature
Topological Polar Surface Area
46.5 Ų
Vapor Pressure
2.37X10-4 mm Hg at 25 °C (est)