1.0 2016-09-30 22:52:45 UTC 2020-04-22 15:10:14 UTC BMDB0002214 BMDB02214 Cuminaldehyde 4-Isopropylbenzaldehyde Cumaldehyde Cumic aldehyde Cuminic aldehyde Cuminyl aldehyde p-Cumic aldehyde p-Isopropylbenzaldehyde p-Isopropylbenzenecarboxaldehyde p-Isopropyl benzaldehyde 4-(1-Methylethyl)benzaldehyde 4-Isopropylbenzenecarboxylate Cuminal Cuminal P-(1-methylethyl)benzaldehyde P-Cuminic aldehyde P-Isopropyl-benzaldehyde C10H12O 148.205 148.088815006 4-(propan-2-yl)benzaldehyde cuminaldehyde 122-03-2 [H]C(=O)C1=CC=C(C=C1)C(C)C InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 WTWBUQJHJGUZCY-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic monoterpenoids Benzaldehydes Benzoyl derivatives Cumenes Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Phenylpropanes Aldehyde Aromatic homomonocyclic compound Aromatic monoterpenoid Aryl-aldehyde Benzaldehyde Benzenoid Benzoyl Cumene Hydrocarbon derivative Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-cymene Phenylpropane Aromatic homomonocyclic compounds Cyclic monoterpenes a small molecule benzaldehydes Liquid boiling_point 235.5 °C logp 2.73 ALOGPS logs -3.01 ALOGPS logp 2.93 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 4-(propan-2-yl)benzaldehyde ChemAxon average_mass 148.205 ChemAxon mono_mass 148.088815006 ChemAxon smiles [H]C(=O)C1=CC=C(C=C1)C(C)C ChemAxon formula C10H12O ChemAxon inchi InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 ChemAxon inchikey WTWBUQJHJGUZCY-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 46.83 ChemAxon polarizability 17.06 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 3818 Specdb::NmrOneD 4083 Specdb::CMs 5970 Specdb::CMs 29248 Specdb::CMs 99759 Specdb::CMs 153235 Specdb::MsIr 1690 Specdb::MsIr 1691 Specdb::EiMs 1590 Specdb::MsMs 70866 Specdb::MsMs 70867 Specdb::MsMs 70868 Specdb::MsMs 129429 Specdb::MsMs 129430 Specdb::MsMs 129431 Specdb::MsMs 1476043 Specdb::MsMs 1476044 Specdb::MsMs 1476045 Specdb::MsMs 1476046 Specdb::MsMs 1476047 Specdb::MsMs 1476048 Specdb::MsMs 1476049 Specdb::MsMs 1476050 Specdb::MsMs 1476051 Specdb::MsMs 1476052 Specdb::MsMs 1476053 Specdb::MsMs 1476054 Specdb::MsMs 1476055 Specdb::MsMs 1476056 Specdb::MsMs 2785957 Specdb::MsMs 2785958 Specdb::MsMs 2785959 Specdb::MsMs 2922922 Specdb::MsMs 2922923 C06577 FDB008724 21106431 326 28671 C00003039 CPD-1003 Cuminaldehyde Lebedev, I. M.; Gorker, I. A.; Mochalin, V. B. A new method for the preparation of cuminaldehyde and for the simultaneous preparation of p-isopropyl-a-methylcinnamaldehyde. Masloboino-Zhirovaya Promyshlennost (1961), 27(2), 33-5.