1.0 2010-04-08 22:08:00 UTC 2025-11-18 23:08:33 UTC FDB008270 (±)-2-Phenyl-1-propanol Flavouring agent C9H12O 136.191 136.088815006 2-phenylpropan-1-ol 2-phenylpropanol-1 1123-85-9 CC(CO)C1=CC=CC=C1 InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 RNDNSYIPLPAXAZ-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Primary alcohol logp 2.06 ALOGPS logs -1.50 ALOGPS solubility 4.31e+00 g/l ALOGPS logp 1.86 ChemAxon pka_strongest_acidic 15.39 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2-phenylpropan-1-ol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CC(CO)C1=CC=CC=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 ChemAxon inchikey RNDNSYIPLPAXAZ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 42.1 ChemAxon polarizability 15.69 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4758 Specdb::MsIr 4759 Specdb::MsIr 4760 Specdb::CMs 15941 Specdb::CMs 28411 Specdb::CMs 29014 Specdb::CMs 42556 Specdb::CMs 100899 Specdb::CMs 100900 Specdb::CMs 154014 Specdb::NmrOneD 111478 Specdb::NmrOneD 111479 Specdb::NmrOneD 111480 Specdb::NmrOneD 111481 Specdb::NmrOneD 111482 Specdb::NmrOneD 111483 Specdb::NmrOneD 111484 Specdb::NmrOneD 111485 Specdb::NmrOneD 111486 Specdb::NmrOneD 111487 Specdb::NmrOneD 111488 Specdb::NmrOneD 111489 Specdb::NmrOneD 111490 Specdb::NmrOneD 111491 Specdb::NmrOneD 111492 Specdb::NmrOneD 111493 Specdb::NmrOneD 111494 Specdb::NmrOneD 111495 Specdb::NmrOneD 111496 Specdb::NmrOneD 111497 Specdb::MsMs 87045 Specdb::MsMs 87046 Specdb::MsMs 87047 Specdb::MsMs 149463 Specdb::MsMs 149464 Specdb::MsMs 149465 Specdb::MsMs 2767652 Specdb::MsMs 2767653 Specdb::MsMs 2767654 Specdb::MsMs 2910938 Specdb::MsMs 2910939 Specdb::MsMs 2910940 HMDB31628 #<Reference:0x000055ce323e6808> Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus