chempirical

Methylparaben

C8H8O3CAS 99-76-3152.15 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Density
1.1208 g/mL (at 137.2 °C)
Melting point
131 °C
Boiling point
265 °C
logP
1.18Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
99-76-3
SMILES
COC(=O)c1ccc(O)cc1
InChIKey
LXCFILQKKLGQFO-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

41 names · show all
  • Benzoic acid, 4-hydroxy-, methyl ester
  • Benzoic acid, p-hydroxy-, methyl ester
  • p-Hydroxybenzoic acid methyl ester
  • Maseptol
  • Methylben
  • Methyl chemosept
  • Methyl p-hydroxybenzoate
  • Methyl parasept
  • Metoxyde
  • Moldex
  • Nipagin
  • Paridol
  • Preserval M
  • Septos
  • Solbrol M
  • Tegosept M
  • 4-Hydroxybenzoic acid methyl ester
  • Methyl 4-hydroxybenzoate
  • p-Methoxycarbonylphenol
  • Methaben
  • p-Carbomethoxyphenol
  • 4-(Methoxycarbonyl)phenol
  • Methyl butex
  • Preserval
  • Solbrol
  • Nipagin M
  • Metaben
  • 4-(Carbomethoxy)phenol
  • Metagin
  • Mekkings M
  • Killitol
  • Para M
  • E 218
  • E 218 (Preservative)
  • NSC 3827
  • NSC 406127
  • Danisol M
  • Paraben M
  • 4-Hydroxymethyl benzoate
  • Tegasept methyl
  • Methyl 4-(3′-butenyloxy)benzoate

Work with Methylparaben

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl terephthalate120-61-675 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-567 % similar Dimethyl 5-hydroxyisophthalate13036-02-766 % similar 3,5-Dihydroxybenzoic acid methyl ester2150-44-966 % similar Methyl 4-bromobenzoate619-42-166 % similar Monomethyl terephthalate1679-64-763 % similar Methyl 3-hydroxybenzoate19438-10-963 % similar Methyl P-toluate99-75-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

P-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 Ortho-vanillin148-53-8

Elsewhere

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