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Methylparaben

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
Color/Form
White needles;Colorless crystals or white crystalline powder;Needles from dil alcohol
Complexity
136
Covalently-Bonded Unit Count
1
EC Number
243-171-5;202-785-7
Exact Mass
152.047344113
Formal Charge
0
Heavy Atom Count
11
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
2
RTECS Number
DH2450000
Stability
Stable. Incompatible with strong oxidizing agents, strong bases.
Storage Conditions
Room Temperature
Topological Polar Surface Area
46.5 Ų
UNII
A2I8C7HI9T
Vapor Pressure
2.37X10-4 mm Hg at 25 °C (est)
WGK Germany
1
XLogP3
2
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