1,4-Diisopropylbenzene
Basic information
- CAS
100-18-5- Standard SMILES
CC(C)c1ccc(C(C)C)cc1- InChIKey
SPPWGCYEYAMHDT-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 1,4-Diisopropylbenzene
- IUPAC
- 1,4-di(propan-2-yl)benzene
- English name
- 1,4-Diisopropylbenzene
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
1,4-DIISOPROPYLBENZENEp-DiisopropylbenzeneBenzene, 1,4-bis(1-methylethyl)-Benzene, p-diisopropyl-p-Diisopropylbenzol1,4-Bis(1-methylethyl)benzenepara-DiisopropylbenzeneDTXSID2026652HSDB 53314-IsopropylcumeneEINECS 202-826-9NSC 84198
Show more names
1,4-Disopropylbenzenep-diisopropyl-benzen1,4-Diisopropylbenzene97%Benzene,1,4-bis(1-methylet
UNII-5M62031NZPBRN 18547395M62031NZP1,4-diisopropyl benzeneNSC-84198Benzene, 1,4-diisopropyl-P-DI-ISO-PROPYLBENZENEDTXCID106652
Database identifiers
- CAS
100-18-5- PubChem CID
- 7486
- DTXSID
DTXSID2026652- ChEMBL
CHEMBL1872836- UNII
- 5M62031NZP
- EC Number
- 202-826-9
- Nikkaji
- J3.587D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 100
Experimental & physicochemical properties
SolventsSolvents -> Aromatic Solvents
Density
0.8568 AT 20 °C/4 °C
0.8568 @ 20°C
Color/FormLiquid
Solubility
INSOL IN WATER
Sol in all proportions of alcohol, ether, acetone, benzene.
Boiling Point
210.3 °C
210.3 °C @760 [mm Hg]
Melting Point
-17.1 °C
-17 °C
Vapor Pressure
0.24 [mmHg]
1 MM HG AT 40.0 °C
Physical Description
Liquid; Gas Vapor
White solid; [HSDB] Colorless liquid; [MSDSonline]
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.7% (5 of 75) of reports.
Warning
H315 (74.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P271, P273, P280, P302+P352, P304+P340, P318, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 75 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Benzene, 1,4-bis(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,4-bis(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1,4-diisopropylbenzene (EC: 202-826-9)
Benzene, 1,4-bis(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Effects in high-dose animal studies include general anesthesia; [MSDSonline]
Hazard Classes and Categories
Skin Irrit. 2 (74.7%)
Flammable liquids - Category 4
Safety & protection
Protective Action Criteria (PAC)
2.7 [mg/m3]
30 [mg/m3]
180 [mg/m3]
Chemistry & industry
Uses & manufacturing
Uses
Used as a solvent and chemical intermediate; [HSDB]
SOLVENT; INTERMEDIATE
CHEM INT, EG, FOR HYDROQUINONE & ACETONE
U.S. Production
2023: 55,000,000 - <70,000,000 lb
(1979) AT LEAST 2.27X10+6 G /UNSPECIFIED ISOMER/
(1981) AT LEAST 2.27X10+6 G /UNSPECIFIED ISOMER/
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
Methods of ManufacturingALKYLATION OF BENZENE OR CUMENE WITH PROPYLENE IN THE PRESENCE OF A CATALYST FOLLOWED BY FRACTIONATION; BY-PRODUCT OF CUMENE PRODN FROM BENZENE & PROPYLENE.
Formulations/PreparationsDiisopropylbenzene ... occurs in three isomeric forms, namely as the ortho, the meta, and the para derivatives, all being flammable liquids.
General Manufacturing Information
Petroleum Refineries
Benzene, 1,4-bis(1-methylethyl)-: ACTIVE
Applications
Uses1,4-Diisopropylbenzene is used as an intermediate for the synthesis of stabilizers, polymers, synthetic lubricants and hydroperoxides. It is also used in the trivalent actinide-lanthanide separation by phosphorus reagent extraction from aqueous komplexes (TALSPEAK) process for separating trivalent lanthanides from trivalent actinide cations. It finds application in nuclear fuel reprocessing.
Uses1,4-diisopropylbenzene (DIPB) has been used in the Trivalent Actinide-Lanthanide Separation by Phosphorus reagent Extraction from Aqueous Komplexes (TALSPEAK) process for separating trivalent lanthanides from trivalent actinide cations, in used nuclear fuel reprocessing.
Related reactions
16 records
Compound notes
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