Butylparaben
Properties
- Molecular formula
- C11H14O3
- Molar mass
- 194.23 g/mol
- Exact mass
- 194.0943 Da
- Melting point
- 68–69 °C
- Boiling point
- 309 °C
- pKa
- 8.47
- Flash point
- 181 °C
- Water solubility
- < 1 g/L (17.2 °C)
- logP
- 2.35Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 4
Hazards
Danger
- H315 Causes skin irritation60.4% of notifiers
- H318 Causes serious eye damage21.6% of notifiers
- H319 Causes serious eye irritation41.6% of notifiers
- H335 May cause respiratory irritation39.7% of notifiers
- H412 Harmful to aquatic life with long lasting effects18.2% of notifiers
Aggregated from 1,344 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
94-26-8SMILES
CCCCOC(=O)c1ccc(O)cc1InChIKey
QFOHBWFCKVYLES-UHFFFAOYSA-NInChI
InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
27 names · show all
- Tegosept B
- Solbrol B
- Benzoic acid, 4-hydroxy-, butyl ester
- Benzoic acid, p-hydroxy-, butyl ester
- Aseptoform butyl
- Butoben
- Butyl chemosept
- Butyl p-hydroxybenzoate
- Butyl tegosept
- p-Hydroxybenzoic acid butyl ester
- Nipabutyl
- Preserval B
- n-Butyl p-hydroxybenzoate
- Butyl 4-hydroxybenzoate
- SPF
- 4-Hydroxybenzoic acid butyl ester
- Butyl parasept
- Tegosept butyl
- Butyl butex
- 4-(Butoxycarbonyl)phenol
- n-Butylparaben
- n-Butyl 4-hydroxybenzoate
- Mekkings B
- Butyl parabens
- NSC 13164
- NSC 8475
- Mekkins B
Work with Butylparaben
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
Pentyl p-hydroxybenzoate6521-29-591 % similar
Hexyl 4-hydroxybenzoate1083-27-888 % similar
Heptylparaben1085-12-788 % similar
Octyl p-hydroxybenzoate1219-38-188 % similar
Dodecyl 4-hydroxybenzoate2664-60-088 % similar
Propylparaben94-13-382 % similar
Butyl benzoate136-60-769 % similar
Butyl 4-aminobenzoate94-25-768 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.