1.02010-04-08 22:09:11 UTC2015-07-20 22:33:50 UTCFDB0105694-PropylphenolFlavouring ingredient1-(4-Hydroxyphenyl)propane1-Hydroxy-4-n-propylbenzene1-Hydroxy-4-propylbenzene4-n-Propylphenol4-Propylphenol, potassiumDihydrochavicolFEMA 3649p-Hydroxypropylbenzenep-n-PropylphenolP-Propyl-phenolp-PropylphenolC9H12O136.191136.0888150064-propylphenol4-propylphenol645-56-7CCCC1=CC=C(O)C=C1InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3KLSLBUSXWBJMEC-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.PhenylpropanesOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylpropanesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsHydrocarbon derivativesOrganooxygen compounds1-hydroxy-2-unsubstituted benzenoidAromatic homomonocyclic compoundHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPhenolPhenylpropanealkylbenzeneLiquidlogp3.01logs-1.92solubility1.63e+00 g/lmelting_pointMp 21-22°logp3.07pka_strongest_acidic10.31pka_strongest_basic-5.4iupac4-propylphenolaverage_mass136.191mono_mass136.088815006smilesCCCC1=CC=C(O)C=C1formulaC9H12OinchiInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3inchikeyKLSLBUSXWBJMEC-UHFFFAOYSA-Npolar_surface_area20.23refractivity42.28polarizability15.96rotatable_bond_count2acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsIr5650Specdb::MsIr5651Specdb::MsIr5652Specdb::CMs20127Specdb::CMs29487Specdb::CMs42887Specdb::CMs101239Specdb::CMs151352Specdb::NmrOneD114358Specdb::NmrOneD114359Specdb::NmrOneD114360Specdb::NmrOneD114361Specdb::NmrOneD114362Specdb::NmrOneD114363Specdb::NmrOneD114364Specdb::NmrOneD114365Specdb::NmrOneD114366Specdb::NmrOneD114367Specdb::NmrOneD114368Specdb::NmrOneD114369Specdb::NmrOneD114370Specdb::NmrOneD114371Specdb::NmrOneD114372Specdb::NmrOneD114373Specdb::NmrOneD114374Specdb::NmrOneD114375Specdb::NmrOneD114376Specdb::NmrOneD114377Specdb::MsMs57099Specdb::MsMs57100Specdb::MsMs57101Specdb::MsMs112677Specdb::MsMs112678Specdb::MsMs112679Specdb::MsMs2678746Specdb::MsMs2678747Specdb::MsMs2678748Specdb::MsMs3030305Specdb::MsMs3030306Specdb::MsMs3030307HMDB32625#<Reference:0x00005556753bf1c0>medicinalphenolic