Octyl p-hydroxybenzoate

C15H22O3CAS 1219-38-1250.34 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C15H22O3
Molar mass
250.34 g/mol
Exact mass
250.1569 Da
Melting point
50 °C
logP
3.91Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1219-38-1
SMILES
CCCCCCCCOC(=O)c1ccc(O)cc1
InChIKey
RIKCMEDSBFQFAL-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzoic acid, 4-hydroxy-, octyl ester
  • Benzoic acid, p-hydroxy-, octyl ester
  • Octyl 4-hydroxybenzoate
  • n-Octyl p-hydroxybenzoate
  • n-Octyl 4-hydroxybenzoate
  • p-Hydroxybenzoic acid octyl ester
  • NSC 309820
  • Octyl paraben
  • Octylparaben

Work with Octyl p-hydroxybenzoate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexyl 4-hydroxybenzoate1083-27-8100 % similar Heptylparaben1085-12-7100 % similar Dodecyl 4-hydroxybenzoate2664-60-0100 % similar Pentyl p-hydroxybenzoate6521-29-597 % similar Butylparaben94-26-888 % similar Propylparaben94-13-377 % similar Hexyl benzoate6789-88-470 % similar Octyl benzoate94-50-870 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexyl salicylate118-60-5 3,5-Di-tert-butyl-4-hydroxybenzoic acid1421-49-4 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-6 Nardosinone23720-80-1 Octyloxybenzoic acid2493-84-7 Gemfibrozil25812-30-0 2-Ethylhexyl 4-hydroxybenzoate5153-25-3 n-Octyl salicylate6969-49-9

Elsewhere

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