1,4-Diisopropylbenzene

HCID 7486CAS 100-18-5
Substructure searchFind similar structures

Basic information

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
162.14085058

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%1,4-Diisopropylbenzene 97%
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

Experimental & physicochemical properties

SolventsSolvents -> Aromatic Solvents
Density · 2 items

0.8568 AT 20 °C/4 °C

0.8568 @ 20°C

Color/FormLiquid
Solubility · 2 items

INSOL IN WATER

Sol in all proportions of alcohol, ether, acetone, benzene.

Boiling Point · 2 items

210.3 °C

210.3 °C @760 [mm Hg]

Melting Point · 2 items

-17.1 °C

-17 °C

Physicochemical properties

Melting point
-17 °C · -17 °C (lit.)
Boiling point
210 °C · 210 °C (lit.)
Density
0.857 g/mL · 0.857 g/mL at 25 °C (lit.)
vapor density
5.6 · 5.6 (vs air)
vapor pressure
0.25 mm · 0.25 mm Hg ( 20 °C)
refractive index
20 · n20/D 1.489(lit.)

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 3 items

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)

Status: Active Update: 10-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15776

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 · 2 items

Skin Irrit. 2 (74.7%)

Flammable liquids - Category 4

Safety & protection

Protective Action Criteria (PAC) · 3 items

2.7 [mg/m3]

30 [mg/m3]

180 [mg/m3]

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
Non-Human Toxicity Excerpts · 3 items

OF 10 RATS DOSED WITH 0.5 ML/KG ... ONE DEATH ... OCCURRED.

Diisopropylbenzene occurs in three isomeric forms, namely as the ortho, the meta, and the para derivatives ... . Orally, they are of very low toxicity. Of 10 rats dosed with 5.0 ml/kg, no deaths for the meta, and one death for the ortho and the para isomers occurred. Russian reports of 1970 indicate that rats and rabbits exposed to 0.2 to 1.0 mg/liter (30 to 150 ppm) for 90 minutes daily for 5 weeks developed vascular hyperemia, hemorrhaging in most major organs, and fatty and protein dystrophy in the liver, kidney, and heart, and hyperplasia of the bone marrow. meta-Diisopropylbenzene caused decreased fertility in the rat and mouse at 1 to 3 mg/liter for 30 days.

Diisopropylbenzene rated 1 on rabbit eyes /on a scale of 1 to 10 with 10 being the most severe/. /Diisopropylbenzene/

Environmental Water ConcentrationsISOMERS 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.
Toxicity DataLCLo (mouse) = 5300 mg/m3/2H

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
CZ6360000
ridadr
UN 3082 9/PG 3
hs_code
29029090

Chemistry & industry

Uses & manufacturing

Uses · 3 items

Used as a solvent and chemical intermediate; [HSDB]

SOLVENT; INTERMEDIATE

CHEM INT, EG, FOR HYDROQUINONE & ACETONE

U.S. Production · 3 items

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.
Applications · 3 items

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.

General Description1,4-diisopropylbenzene (DIPB) is one of the components of crude petroleum.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

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