1.0 2010-04-08 22:09:11 UTC 2015-07-20 22:33:50 UTC FDB010568 2-Propylphenol Flavouring ingredient 1-(2-Hydroxyphenyl)propane 1-Hydroxy-2-n-propylbenzene 1-Hydroxy-2-propylbenzene 2-n-Propylphenol 2-Propyl-phenol FEMA 3522 O-n-propylphenol O-Propyl-phenol O-propylphenol Phenol, 2-propyl- Phenol, o-propyl- C9H12O 136.191 136.088815006 2-propylphenol O-propylphenol 644-35-9 CCCC1=CC=CC=C1O InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3 LCHYEKKJCUJAKN-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Phenylpropanes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenol Phenylpropane Liquid logp 2.95 ALOGPS logs -1.73 ALOGPS solubility 2.55e+00 g/l ALOGPS melting_point 7 oC logp 3.07 ChemAxon pka_strongest_acidic 10.3 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 2-propylphenol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CCCC1=CC=CC=C1O ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3 ChemAxon inchikey LCHYEKKJCUJAKN-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 42.28 ChemAxon polarizability 15.77 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14036 Specdb::CMs 42886 Specdb::CMs 146152 Specdb::MsIr 5647 Specdb::MsIr 5648 Specdb::MsIr 5649 Specdb::NmrOneD 114338 Specdb::NmrOneD 114339 Specdb::NmrOneD 114340 Specdb::NmrOneD 114341 Specdb::NmrOneD 114342 Specdb::NmrOneD 114343 Specdb::NmrOneD 114344 Specdb::NmrOneD 114345 Specdb::NmrOneD 114346 Specdb::NmrOneD 114347 Specdb::NmrOneD 114348 Specdb::NmrOneD 114349 Specdb::NmrOneD 114350 Specdb::NmrOneD 114351 Specdb::NmrOneD 114352 Specdb::NmrOneD 114353 Specdb::NmrOneD 114354 Specdb::NmrOneD 114355 Specdb::NmrOneD 114356 Specdb::NmrOneD 114357 Specdb::MsMs 67845 Specdb::MsMs 67846 Specdb::MsMs 67847 Specdb::MsMs 125742 Specdb::MsMs 125743 Specdb::MsMs 125744 Specdb::MsMs 1472444 Specdb::MsMs 1472445 Specdb::MsMs 1472446 Specdb::MsMs 1472447 Specdb::MsMs 1472448 Specdb::MsMs 1477394 Specdb::MsMs 1477395 Specdb::MsMs 1477396 Specdb::MsMs 1477397 Specdb::MsMs 1477398 Specdb::MsMs 1477399 Specdb::MsMs 1477400 Specdb::MsMs 1477401 Specdb::MsMs 1477402 Specdb::MsMs 1477403 Specdb::MsMs 1477404 Specdb::MsMs 2400093 Specdb::MsMs 2400094 Specdb::MsMs 2400095 HMDB32624 JZ4 #<Reference:0x000055ce30241cc0> medicinal phenolic smoky