1.0 2010-04-08 22:13:44 UTC 2019-11-26 03:16:12 UTC FDB018474 2-Ethyl-4-methylphenol Constituent of coffee and hops. 2-Ethyl-4-methylphenol is found in cereals and cereal products and coffee and coffee products. 2-Ethyl-4-methyl-phenol 2-Ethyl-p-cresol 2-Ethyl-p-cresol, 8CI p-Cresol, 2-ethyl- Phenol, 2-ethyl-4-methyl- C9H12O 136.191 136.088815006 2-ethyl-4-methylphenol 2-ethyl-4-methylphenol 3855-26-3 CCC1=C(O)C=CC(C)=C1 InChI=1S/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3 AVVVXUXMKWPKAJ-UHFFFAOYSA-N belongs to the class of organic compounds known as para cresols. Para cresols are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4. Para cresols Organic compounds Benzenoids Phenols Cresols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds Toluenes 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound P-cresol Toluene logp 2.88 ALOGPS logs -1.83 ALOGPS solubility 2.03e+00 g/l ALOGPS logp 3.14 ChemAxon pka_strongest_acidic 10.65 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 2-ethyl-4-methylphenol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CCC1=C(O)C=CC(C)=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3 ChemAxon inchikey AVVVXUXMKWPKAJ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 42.72 ChemAxon polarizability 15.85 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8087 Specdb::MsIr 8088 Specdb::MsIr 8089 Specdb::MsMs 59355 Specdb::MsMs 59356 Specdb::MsMs 59357 Specdb::MsMs 115473 Specdb::MsMs 115474 Specdb::MsMs 115475 Specdb::MsMs 2315699 Specdb::MsMs 2315700 Specdb::MsMs 2315701 Specdb::MsMs 2622464 Specdb::MsMs 2622465 Specdb::MsMs 2622466 Specdb::NmrOneD 30522 Specdb::NmrOneD 30523 Specdb::NmrOneD 30524 Specdb::NmrOneD 30525 Specdb::NmrOneD 30526 Specdb::NmrOneD 30527 Specdb::NmrOneD 30528 Specdb::NmrOneD 30529 Specdb::NmrOneD 30530 Specdb::NmrOneD 30531 Specdb::NmrOneD 30532 Specdb::NmrOneD 30533 Specdb::NmrOneD 30534 Specdb::NmrOneD 30535 Specdb::NmrOneD 30536 Specdb::NmrOneD 30537 Specdb::NmrOneD 30538 Specdb::NmrOneD 30539 Specdb::NmrOneD 30540 Specdb::NmrOneD 30541 Specdb::CMs 25372 Specdb::CMs 27690 Specdb::CMs 46189 Specdb::CMs 102006 Specdb::CMs 174469 HMDB38988 #<Reference:0x000055ce3344f0f0> Arabica coffee Type 1 specific Coffea arabica 13443 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390