1.0 2010-04-08 22:08:13 UTC 2015-07-20 22:25:26 UTC FDB008729 2-Isopropylphenol Flavouring ingredient 1-Hydroxy-2-isopropylbenzene 1-Hydroxy-3-isopropylbenzene 2-(1-Methylethyl)-phenol 2-(1-Methylethyl)phenol 2-(1-Methylethyl)phenol, 9CI 2-(propan-2-yl)phenol Cumenol, o- FEMA 3461 Isopropyl-phenol Isopropylphenol, o- Isopropylphenol, ortho O-cumenol o-Hydroxycumene O-Isopropyl-phenol O-isopropylphenol Ortho-isopropylphenol Phenol, 2-(1-methylethyl)- Phenol, isopropyl- Phenol, o-isopropyl- Prodox 131 C9H12O 136.191 136.088815006 2-(propan-2-yl)phenol 2-isopropylphenol 88-69-7 CC(C)C1=CC=CC=C1O InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3 CRBJBYGJVIBWIY-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 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds Phenylpropanes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Cumene Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenol Phenylpropane phenols Liquid logp 2.78 ALOGPS logs -1.64 ALOGPS solubility 3.09e+00 g/l ALOGPS melting_point Mp 15-16° logp 2.91 ChemAxon pka_strongest_acidic 10.5 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 2-(propan-2-yl)phenol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CC(C)C1=CC=CC=C1O ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3 ChemAxon inchikey CRBJBYGJVIBWIY-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 42.23 ChemAxon polarizability 15.63 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 818 Specdb::MsMs 105213 Specdb::MsMs 105214 Specdb::MsMs 105215 Specdb::MsMs 171669 Specdb::MsMs 171670 Specdb::MsMs 171671 Specdb::MsMs 2336719 Specdb::MsMs 2336720 Specdb::MsMs 2336721 Specdb::MsMs 2628488 Specdb::MsMs 2628489 Specdb::MsMs 2628490 Specdb::CMs 14649 Specdb::CMs 27686 Specdb::CMs 42720 Specdb::CMs 100991 Specdb::CMs 162036 Specdb::MsIr 5026 Specdb::MsIr 5027 Specdb::MsIr 5028 Specdb::NmrOneD 2687 Specdb::NmrOneD 3375 Specdb::NmrOneD 111658 Specdb::NmrOneD 111659 Specdb::NmrOneD 111660 Specdb::NmrOneD 111661 Specdb::NmrOneD 111662 Specdb::NmrOneD 111663 Specdb::NmrOneD 111664 Specdb::NmrOneD 111665 Specdb::NmrOneD 111666 Specdb::NmrOneD 111667 Specdb::NmrOneD 111668 Specdb::NmrOneD 111669 Specdb::NmrOneD 111670 Specdb::NmrOneD 111671 Specdb::NmrOneD 111672 Specdb::NmrOneD 111673 Specdb::NmrOneD 111674 Specdb::NmrOneD 111675 Specdb::NmrOneD 111676 Specdb::NmrOneD 111677 HMDB32029 38506 IP0 #<Reference:0x000055ce322e7b50> #<Reference:0x000055ce322e7970> #<Reference:0x000055ce322e76c8> #<Reference:0x000055ce322e7510> #<Reference:0x000055ce322e7358> #<Reference:0x000055ce322e7150> #<Reference:0x000055ce322e6f70> #<Reference:0x000055ce322e6db8> #<Reference:0x000055ce322e6c00> #<Reference:0x000055ce322e6a48> #<Reference:0x000055ce322e6890> #<Reference:0x000055ce322e66d8> #<Reference:0x000055ce322e6520> #<Reference:0x000055ce322e6368> #<Reference:0x000055ce322e61b0> #<Reference:0x000055ce322e5ff8> #<Reference:0x000055ce322e5e40> creosote medicinal phenolic