1.0 2010-04-08 22:06:37 UTC 2020-02-24 19:10:46 UTC FDB005302 p-Isopropylphenol Occurs in oil of Eucalyptus species [CCD]. p-Isopropylphenol is found in cumin. 1-Hydroxy-4-isopropylbenzene 4-(1-Methylethyl)phenol 4-Isopropyl phenol Australol P-cumenol P-cuminol P-isopropyl phenol Para-isopropylphenol C9H12O 136.191 136.088815006 4-(propan-2-yl)phenol P-isopropylphenol 99-89-8 CC(C)C1=CC=C(O)C=C1 InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3 YQUQWHNMBPIWGK-UHFFFAOYSA-N belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. Cumenes Organic compounds Benzenoids Benzene and substituted derivatives Cumenes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds Phenylpropanes 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Cumene Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenol Phenylpropane logp 2.84 ALOGPS logs -1.88 ALOGPS solubility 1.81e+00 g/l ALOGPS melting_point 62.3 oC logp 2.91 ChemAxon pka_strongest_acidic 10.28 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 4-(propan-2-yl)phenol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CC(C)C1=CC=C(O)C=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3 ChemAxon inchikey YQUQWHNMBPIWGK-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 42.23 ChemAxon polarizability 15.8 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11498 Specdb::CMs 27687 Specdb::CMs 42488 Specdb::CMs 100782 Specdb::CMs 161781 Specdb::MsMs 100527 Specdb::MsMs 100528 Specdb::MsMs 100529 Specdb::MsMs 165882 Specdb::MsMs 165883 Specdb::MsMs 165884 Specdb::MsMs 3059767 Specdb::MsMs 3059768 Specdb::MsMs 3059769 Specdb::MsMs 3107762 Specdb::MsMs 3107763 Specdb::MsMs 3107764 Specdb::MsIr 4462 Specdb::MsIr 4463 Specdb::MsIr 4464 Specdb::NmrOneD 163909 Specdb::NmrOneD 163910 Specdb::NmrOneD 163911 Specdb::NmrOneD 163912 Specdb::NmrOneD 163913 Specdb::NmrOneD 163914 Specdb::NmrOneD 163915 Specdb::NmrOneD 163916 Specdb::NmrOneD 163917 Specdb::NmrOneD 163918 Specdb::NmrOneD 163919 Specdb::NmrOneD 163920 Specdb::NmrOneD 163921 Specdb::NmrOneD 163922 Specdb::NmrOneD 163923 Specdb::NmrOneD 163924 Specdb::NmrOneD 163925 Specdb::NmrOneD 163926 Specdb::NmrOneD 163927 Specdb::NmrOneD 163928 HMDB31446 #<Reference:0x000055ce32bdca58> Cumin Type 1 specific Cuminum cyminum 52462 medicinal spicy warm woody