Methylparaben
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
- Water solubility
- soluble
- logP
- 1.18Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation53.8% of notifiers
- H319 Causes serious eye irritation53.7% of notifiers
- H335 May cause respiratory irritation50.5% of notifiers
Aggregated from 3,282 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
99-76-3SMILES
COC(=O)c1ccc(O)cc1InChIKey
LXCFILQKKLGQFO-UHFFFAOYSA-NInChI
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3Weigh 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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
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.