1.0 2010-04-08 22:10:05 UTC 2020-09-17 15:35:00 UTC FDB012268 Isopropylbenzene Cumene or Isopropylbenzene, also known as 2-phenylpropane or cumol, belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. It is a constituent of crude oil and refined fuels. It is a flammable colorless liquid that has a boiling point of 152 ¬∞C. Cumene is produced commercially by Friedel‚ÄìCrafts alkylation of benzene with propylene. Nearly all the cumene that is produced as a pure compound on an industrial scale is converted to cumene hydroperoxide, which is an intermediate in the synthesis of other industrially important chemicals such as phenol and acetone. Isopropylbenzene is also found naturally in many plant foods, such as ceylon cinnamon, herbs and spices, cumin, and ginger. (1-Methylethyl)-benzene (1-Methylethyl)benzene (1-methylethyl)benzene (cumene) (methylethyl)benzene (propan-2-yl)benzene 1-Methylethyl-benzene 1-Methylethylbenzene, 9CI 2-Fenilpropano 2-Fenyl-propaan 2-Phenyl-propane 2-Phenylpropane Benzene, (1-methylethyl)- Benzene, (1-methylethyl)-, oxidized, polyphenyl residues Benzene, (1-methylethyl)-, oxidized, sulfurized by-products Benzene, 1-methylethyl- Benzene, I-propyl- Benzene, isopropyl Benzene, isopropyl- Benzene,isopropyl cumol Cumeen Cumene CUMENE (CUMENE HYDROPEROXIDE (80-15-9)) Cumol I-propyl-benzene I-propylbenzene Iso-propylbenzene (cumene) Isopropilbenzene Isopropyl-benzene Isopropyl-benzol Isopropyl-benzol(german) Isopropylbenzeen Isopropylbenzen Isopropylbenzene [UN1918] [Flammable liquid] Isopropylbenzol Oxidized cumene polyphenyl residues Phenol bottoms Polyphenyl residue Propane, 2-phenyl Propane, 2-phenyl- Sulfurized BY-product of cumene oxidation C9H12 120.1916 120.093900384 (propan-2-yl)benzene cumene 98-82-8 CC(C)C1=CC=CC=C1 InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3 RWGFKTVRMDUZSP-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 Aromatic hydrocarbons Phenylpropanes Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Cumene Hydrocarbon Phenylpropane Unsaturated hydrocarbon alkylbenzene an aromatic compound logp 3.67 ALOGPS logs -3.51 ALOGPS solubility 3.71e-02 g/l ALOGPS melting_point Mp -96.9° logp 3.22 ChemAxon iupac (propan-2-yl)benzene ChemAxon average_mass 120.1916 ChemAxon mono_mass 120.093900384 ChemAxon smiles CC(C)C1=CC=CC=C1 ChemAxon formula C9H12 ChemAxon inchi InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3 ChemAxon inchikey RWGFKTVRMDUZSP-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 40.25 ChemAxon polarizability 14.82 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 2741 Specdb::NmrOneD 3435 Specdb::EiMs 1286 Specdb::MsMs 59406 Specdb::MsMs 59407 Specdb::MsMs 59408 Specdb::MsMs 115533 Specdb::MsMs 115534 Specdb::MsMs 115535 Specdb::MsMs 2830852 Specdb::MsMs 2830853 Specdb::MsMs 2830854 Specdb::MsMs 2848652 Specdb::MsMs 2848653 Specdb::MsMs 2848654 Specdb::CMs 3469 Specdb::CMs 27060 Specdb::CMs 27115 Specdb::CMs 28657 Specdb::CMs 28992 Specdb::CMs 29994 Specdb::CMs 101507 Specdb::CMs 101508 Specdb::CMs 101509 Specdb::CMs 101510 Specdb::CMs 101511 Specdb::CMs 150155 HMDB34029 34656 #<Reference:0x00005612732e1b08> #<Reference:0x00005612732e1860> Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 16.5 16.5 16.5 mg/100 g Cumin Type 1 specific Cuminum cyminum 52462 Ginger Type 1 specific Zingiber officinale 94328 0.1 0.1 0.1 mg/100 g Herbs and Spices Unknown generic Sweet cherry Type 1 specific Prunus avium 42229 narcotic 1139 A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.