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1,4-di(propan-2-yl)benzene
CAS number：100-18-5 molecular formula：C12H18
overview
Specs
| Chinese alias | - | ||
| English alias | - | ||
| CAS number | 100-18-5 | molecular formula | C12H18 |
| molecular weight | 162.27 | Exact mass | - |
| PSA | - | logp | 4.9 |
numbering system
| CAS | 100-18-5 |
| UNII | 5M62031NZP |
| Wikidata | Q27262542 |
| ChEMBL ID | CHEMBL1872836 |
| NSC Number | NSC Number: NSC84198 |
| PubChem CID | 7486 |
| Related CAS | 25822-43-9 |
| Nikkaji Number | J3.587D |
| DSSTox Substance ID | DTXSID2026652 |
| European Community (EC) Number | 202-826-9 |
| PubChem Reference Collection SID | 500716701 |
| MEP ID | _25Q1B3AQ2 |
physicochemical properties
| XLogP3 | 4.9 |
| Density | 0.8568 @ 20°C |
| Solvents | Solvents -> Aromatic Solvents |
| Complexity | 100 |
| Exact Mass | 162.140850574 |
| Solubility | Sol in all proportions of alcohol, ether, acetone, benzene. |
| Boiling Point | 210.3 °C @760 [mm Hg] |
| Formal Charge | 0 |
| Melting Point | -17 °C |
| Vapor Pressure | 1 MM HG AT 40.0 °C |
| Heavy Atom Count | 12 |
| Molecular Weight | 162.27 |
| Monoisotopic Mass | 162.140850574 |
| Isotope Atom Count | 0 |
| Physical Description | White solid; Colorless liquid; [MSDSonline] |
| Rotatable Bond Count | 2 |
| Kovats Retention Index | Standard polar: 1418 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Topological Polar Surface Area | 0 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Toxicity Data：
LCLo (mouse) = 5300 mg/m3/2H
Adverse Effects：
Neurotoxin - Acute solvent syndrome
Hazards Summary：
An irritant; Effects in high-dose animal studies include general anesthesia; [MSDSonline]
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Benzene, 1,4-bis(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Non-Human Toxicity Excerpts：
Diisopropylbenzene rated 1 on rabbit eyes /on a scale of 1 to 10 with 10 being the most severe/. /Diisopropylbenzene/
Hazard Classes and Categories：
Flammable liquids - Category 4
Protective Action Criteria (PAC)：
PAC-3: 180 [mg/m3]
Environmental Water Concentrations：
ISOMERS IMPART A SPECIFIC SMELL TO WATER BUT HAVE NO SIGNIFICANT EFFECT ON SANITATION OF WATER BODIES. HYGIENIC STANDARD LEVEL FOR BOTH SUBSTANCES IN WATER SHOULD BE SET @ LEVEL OF 0.05 MG/LITER.
Production methods and uses
Production method
ALKYLATION OF BENZENE OR CUMENE WITH PROPYLENE IN THE PRESENCE OF A CATALYST FOLLOWED BY FRACTIONATION; BY-PRODUCT OF CUMENE PRODN FROM BENZENE & PROPYLENE.
purpose
Uses：
CHEM INT, EG, FOR HYDROQUINONE & ACETONE
Consumer Uses：
Intermediate
Industry Uses：
Not Known or Reasonably Ascertainable
General Manufacturing Information：
Industry Processing Sectors: Petroleum Refineries
Related
upstream information
Methods of Manufacturing：
BENZENE (CID:241); CUMENE (CID:7406); PROPYLENE (CID:8252)
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-18-5 | 1,4-Diisopropylbenzene.pdf
