Methylparaben
An aromatic ester, C8H8O3, 152.149 g/mol. Boiling point 270.5 °C (decomposes), melting point 125.2 °C, as published.
Identifiers
- Molecular formula
- C₈H₈O₃
- Molecular weight
- 152.149 g/mol
- Exact mass
- 152.047344 g/mol
- IUPAC name
- methyl 4-hydroxybenzoate
- COC(=O)c1ccc(O)cc1
- InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
- LXCFILQKKLGQFO-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 270.5 °C (decomposes)
- 275.00 °C. @ 760.00 mm Hg
- Melting Point
- ofp-hydroxybenzoic acid derived from the sample is 213 °C to 217 °C after drying for two hours at 80 °C
- 125.2 °C
- Solubility
- 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
- Vapor Pressure
- 0.000237 [mmHg]
- LogP
- log Kow = 1.96
- 1.96
Calculated properties
- Molecular weight
- 152.15 g/mol
- Exact mass
- 152.047344113 Da
- XLogP3
- 2
- Polar surface area
- 46.5 Ų
- Complexity
- 136
- H-bond donors
- 1
- H-bond acceptors
- 3
- logP
- 1.1788
- Topological polar surface area
- 46.53 Ų
- H-bond donors
- 1
- H-bond acceptors
- 3
- Rotatable bonds
- 1
- Molar refractivity
- 39.4463 cm³/mol
- Fraction sp³ carbons
- 0.125
- QED drug-likeness
- 0.6144
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 11
- Total atoms, hydrogen included
- 19
- Rings
- 1
- Aromatic rings
- 1
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Ester
Phenol
Ether
Aromatic ring
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is methyl 4-hydroxybenzoate.
The sources also call it Methyl 4-hydroxybenzoate, Methyl paraben, Methyl p-hydroxybenzoate, Nipagin, Tegosept M, Moldex, Maseptol, Methyl parahydroxybenzoate, p-Hydroxybenzoic acid methyl ester, Preserval M, Preserval.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Methylparaben. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
(RS)-methyl 4-[2-(N-ethyl-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl)-heptyloxy]-benzoate
formed as a product
C₂₈H₃₉NO₃, 437.624 g/mol.
1,7-Dibromoheptane
used as a reactant
C₇H₁₄Br₂, 257.997 g/mol.
(Chloromethyl)cyclohexane
used as a reactant
C₇H₁₃Cl, 132.634 g/mol.
(RS)-2-(N-ethyl-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl)-heptanol
used as a reactant
C₂₀H₃₃NO, 303.49 g/mol.
1,2-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
(2-{[4-(Chloromethyl)phenoxy]methoxy}ethyl)(trimethyl)silane
used as a reactant
C₁₃H₂₁ClO₂Si, 272.848 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under M
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C8H8O3 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Methylparaben for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.