Cas no 101316-43-2 (Benzene,(1-methylethyl)-, oxidized, cumene residues, methylstyrene fraction)

Benzene,(1-methylethyl)-, oxidized, cumene residues, methylstyrene fraction structure
101316-43-2 structure
Product Name:Benzene,(1-methylethyl)-, oxidized, cumene residues, methylstyrene fraction
CAS No:101316-43-2
MF:C9H12
MW:120.191582679749
CID:233137
PubChem ID:7406
Update Time:2025-04-19

Benzene,(1-methylethyl)-, oxidized, cumene residues, methylstyrene fraction Chemical and Physical Properties

Names and Identifiers

    • Benzene,(1-methylethyl)-, oxidized, cumene residues, methylstyrene fraction
    • F0001-2320
    • CCRIS 9455
    • EC 202-704-5
    • CUMENE [HSDB]
    • 8Q54S3XE7K
    • 2-Phenyl propane
    • HSDB 172
    • Isopropylbenzeen [Dutch]
    • Cumene, analytical standard
    • MLS002454396
    • EN300-19973
    • 2-Phenylpropane
    • 20201-29-0
    • Propan-2-ylbenzene
    • InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H
    • CAS-98-82-8
    • I-Propyl-Benzene
    • (1-Methylethyl)benzene
    • Q410107
    • SMR001372007
    • Isopropylbenzen
    • CUMENE (IARC)
    • Cumeen
    • 68333-89-1
    • NCGC00091155-01
    • CUMENE (CUMENE HYDROPEROXIDE (80-15-9))
    • 101316-43-2
    • AKOS000269066
    • UNII-8Q54S3XE7K
    • 2-Fenyl-propaan
    • 2-Fenilpropano [Italian]
    • 1-Methylethyl-Benzene
    • AI3-04630
    • CUMENE (USP-RS)
    • Benzene-1,2,3,4,5-d5,6-[1-(methyl-d3)ethyl-1,2,2,2-d4]-
    • Isopropyl-benzol(german)
    • (propan-2-yl)benzene
    • i-propylbenzene
    • RCRA waste no. U055
    • Propane, 2-phenyl-
    • Cumene, Pharmaceutical Secondary Standard; Certified Reference Material
    • Isopropilbenzene [Italian]
    • A858512
    • Benzene, (1-methylethyl)-
    • Benzene, isopropyl-
    • Isopropyl-benzol [German]
    • 2-Fenilpropano
    • J-660071
    • 2-phenyl-propane
    • Isopropyl-benzol
    • Benzene, i-propyl-
    • cumen
    • (Methylethyl)benzene
    • Isopropilbenzene
    • CUMENE [IARC]
    • ISOPROPYLBENZENE (CUMENE)
    • Tox21_202503
    • Phenol bottoms
    • UN 1918
    • 2-Fenyl-propaan [Dutch]
    • Isopropylbenzeen
    • CHEBI:34656
    • MFCD00008881
    • Propane, 2-phenyl
    • Propane-2-yl-benzene
    • CUMENE [USP-RS]
    • Isopropylbenzene 10 microg/mL in Methanol
    • HMS3039J15
    • isopropyl-benzene
    • Isopropylbenzene 100 microg/mL in Methanol
    • Cumeen [Dutch]
    • Isopropylbenzene
    • Cumene, 98%
    • S0652
    • J-520110
    • Isopropylbenzene [UN1918] [Flammable liquid]
    • Isopropylbenzene [UN1918] [Flammable liquid]
    • FT-0624111
    • NSC8776
    • 98-82-8
    • Cumene, PESTANAL(R), analytical standard
    • BIDD:ER0700
    • ISOPROPYL BENZENE
    • BENZENE,ISOPROPYL CUMOL
    • Cumene, United States Pharmacopeia (USP) Reference Standard
    • NSC-8776
    • NCGC00260052-01
    • Benzene, isopropyl
    • (1-methylethyl)benzene (cumene)
    • Benzene, 1-methylethyl-
    • (1-methylethyl)-benzene
    • Isopropylbenzol
    • Iso-propylbenzene (cumene)
    • Cumol
    • UN1918
    • CHEMBL1398949
    • DTXCID101827
    • Benzene,isopropyl cumol
    • CUMENE
    • NSC 8776
    • EINECS 202-704-5
    • WLN: 1Y1 & R
    • RCRA waste number U055
    • NS00005736
    • CUMENE [MI]
    • 68411-37-0
    • DTXSID1021827
    • 4-isopropylbenzene
    • 68936-98-1
    • 1-Methylethylbenzene, 9CI
    • Inchi： 1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
    • InChI Key： RWGFKTVRMDUZSP-UHFFFAOYSA-N
    • SMILES： C(C)(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 120.0939g/mol
  • Monoisotopic Mass: 120.0939g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 68.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 120.19g/mol
  • XLogP3: 3.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 0.866 at 59 °F (USCG, 1999)
  • Melting Point: -140.9 °F (USCG, 1999)
  • Boiling Point: 306.3 °F at 760 mm Hg (USCG, 1999)
  • Flash Point: 96 °F (USCG, 1999)
  • Solubility: Insoluble (NIOSH, 2016)
  • LogP: 3.66 (LogP)
  • Odor: Gasoline-like odor
  • Refractive Index: Index of refraction: 1.4915
  • Vapor Pressure: 25.85 mm Hg (USCG, 1999)

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