Compound: CUMENE
SMILES: c1(ccccc1)C(C)C
InChIKey: RWGFKTVRMDUZSP-UHFFFAOYSA-N
Synonyms: CUMENE, Isopropylbenzene, 98-82-8, 2-Phenylpropane, (1-Methylethyl)benzene, Cumol, Benzene, (1-methylethyl)-, Isopropylbenzol, Cumeen, Isopropilbenzene, Isopropylbenzeen, 2-Fenilpropano, 2-Fenyl-propaan, (propan-2-yl)benzene, Isopropyl-benzol, Benzene, isopropyl, Propan-2-ylbenzene, Propane, 2-phenyl, RCRA waste number U055, Phenol bottoms, ISOPROPYL BENZENE, DTXSID1021827, 8Q54S3XE7K, NSC-8776, DTXCID101827, CHEBI:34656, 2-Phenyl propane, RefChem:5710, 202-704-5, i-propylbenzene, (Methylethyl)benzene, Isopropylbenzen, NSC 8776, Benzene, isopropyl-, Propane, 2-phenyl-, MFCD00008881, 101316-43-2, (1-methylethyl)-benzen, Cumeen [Dutch], Isopropylbenzeen [Dutch], isopropyl-benzene, 2-Fenilpropano [Italian], 2-Fenyl-propaan [Dutch], Isopropyl-benzol [German], Isopropilbenzene [Italian], 4-isopropylbenzene, HSDB 172, Benzene, 1-methylethyl-, EINECS 202-704-5, UN1918, RCRA waste no. U055, cumen, UNII-8Q54S3XE7K, AI3-04630, CCRIS 9455, (1-methylethyl)benzene (cumene), 2-phenyl-propane, I-Propyl-Benzene, Benzene, i-propyl-, Propane-2-yl-benzene, 1-Methylethyl-Benzene, Benzene,isopropyl cumol, Cumene, 98%, A1ATB, Isopropyl-benzol(german), (1-methylethyl)-benzene, CUMENE [HSDB], CUMENE [IARC], CUMENE [USP-RS], CUMENE [MI], Iso-propylbenzene (cumene), 1-Methylethylbenzene, 9CI, Cumene, analytical standard, EC 202-704-5, Isopropylbenzene [UN1918] [Flammable liquid], SCHEMBL6567, SCHEMBL6568, SCHEMBL21459, SCHEMBL42818, SCHEMBL95729, SCHEMBL96104, CUMENE (CUMENE HYDROPEROXIDE (80-15-9)), MLS002454396, BIDD:ER0700, SCHEMBL316110, SCHEMBL688558, SCHEMBL832620, SCHEMBL930286, SCHEMBL1233149, SCHEMBL1517603, SCHEMBL1776073, SCHEMBL1776748, SCHEMBL1870280, SCHEMBL2088988, SCHEMBL4133635, SCHEMBL5350771, SCHEMBL7644770, SCHEMBL8535493, SCHEMBL9563390, SCHEMBL9581136, CHEMBL1398949, SCHEMBL11254813, BENZENE,ISOPROPYL   CUMOL, Isopropylbenzene standard solution, NSC8776, WLN: 1Y1 & R, HMS3039J15, EAA01954, Tox21_202503, MSK000664, SBB040817, STL282733, AKOS000269066, UN 1918, CAS-98-82-8, MSK000664-1000M, NCGC00091155-01, NCGC00260052-01, SMR001372007, Cumene, PESTANAL(R), analytical standard, Isopropylbenzene 10 microg/mL in Methanol, DB-370622, Isopropylbenzene 100 microg/mL in Methanol, NS00005736, S0652, ST50214393, EN300-19973, Isopropylbenzene [UN1918]  [Flammable liquid], F094649, Isopropylbenzene Solution in Methanol, 1000ug/mL, Q410107, F0001-2320, Cumene, United States Pharmacopeia (USP) Reference Standard, InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H, Cumene, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C9H12
molecular_weight: 120.19 g/mol
exact_mass: 120.093900383 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 1
heavy_atom_count: 9
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Gasoline-like odor
boiling_point: 306.3 °F at 760 mmHg (USCG, 1999)
melting_point: -140.9 °F (USCG, 1999)
density: 0.866 at 59 °F (USCG, 1999) - Less dense than water; will float
solubility: Insoluble (NIOSH, 2024)
flash_point: 96 °F (USCG, 1999)
vapor_pressure: 25.85 mmHg (USCG, 1999)
Descriptions:
pubchem: Cumene can cause cancer according to The National Toxicology Program.
chebi: An alkylbenzene that is benzene carrying an isopropyl group.
chembl: ISOPROPYLBENZENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Cumene (isopropylbenzene) is an organic compound that contains a benzene ring with an isopropyl substituent.  It is a constituent of crude oil and refined fuels.  It is a flammable colorless liquid that has a boiling point of 152 °C.  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, primarily phenol and acetone (known as the cumene process).