1.0 2010-04-08 22:10:24 UTC 2018-05-28 23:39:50 UTC FDB012871 Heptyl 4-hydroxybenzoate It is used as a food additive . Benzoic acid, 4-hydroxy-, heptyl ester Benzoic acid, 4-hydroxy-, n-heptyl ester Benzoic acid, p-hydroxy-, heptyl ester Heptyl 4-hydroxybenzoate Heptyl p-hydroxy benzoate Heptyl p-hydroxybenzoate Heptyl paraben Heptylparaben n-Heptyl 4-hydroxybenzoate N-heptyl p-hydroxybenzoate Nipaheptyl P-hydroxybenzoic acid heptyl ester Staypro WS 7 C14H20O3 236.3068 236.141244506 heptyl 4-hydroxybenzoate heptylparaben 1085-12-7 CCCCCCCOC(=O)C1=CC=C(O)C=C1 InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3 ZTJORNVITHUQJA-UHFFFAOYSA-N belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. p-Hydroxybenzoic acid alkyl esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester Phenol benzoate ester logp 4.96 ALOGPS logs -3.83 ALOGPS solubility 3.48e-02 g/l ALOGPS melting_point Mp 49-51° logp 4.33 ChemAxon pka_strongest_acidic 8.5 ChemAxon pka_strongest_basic -6.1 ChemAxon iupac heptyl 4-hydroxybenzoate ChemAxon average_mass 236.3068 ChemAxon mono_mass 236.141244506 ChemAxon smiles CCCCCCCOC(=O)C1=CC=C(O)C=C1 ChemAxon formula C14H20O3 ChemAxon inchi InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3 ChemAxon inchikey ZTJORNVITHUQJA-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 67.74 ChemAxon polarizability 27.81 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 2130 Specdb::NmrOneD 3449 Specdb::EiMs 337 Specdb::CMs 21561 Specdb::CMs 43886 Specdb::CMs 170629 Specdb::MsMs 99564 Specdb::MsMs 99565 Specdb::MsMs 99566 Specdb::MsMs 164712 Specdb::MsMs 164713 Specdb::MsMs 164714 Specdb::MsMs 2246584 Specdb::MsMs 2247695 Specdb::MsMs 2248585 Specdb::MsMs 2249808 Specdb::MsMs 2250632 Specdb::MsMs 2251755 Specdb::MsMs 2443717 Specdb::MsMs 2443718 Specdb::MsMs 2443719 Specdb::MsMs 2521827 Specdb::MsMs 2521828 Specdb::MsMs 2521829 HMDB34462 17879 #<Reference:0x000055ce3023d1c0>