Grundinformationen
- Standard-SMILES
CC(C)c1ccc(C(C)C)cc1- InChIKey
SPPWGCYEYAMHDT-UHFFFAOYSA-N- Summenformel
- C12H18
- Durchschnittliche Molmasse
- 162,27 g/mol
- Monoisotopische Masse
- 162,14085058
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Diisopropylbenzene
- IUPAC
- 1,4-di(propan-2-yl)benzene
- Lokaler Name
- 1,4-Diisopropylbenzol
- Englischer Name
- 1,4-DIISOPROPYLBENZENE
- Summenformel
- C12H18
- Molmasse
- 162.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
100-18-5- PubChem CID
- 7486
- DTXSID
DTXSID2026652- ChEMBL
CHEMBL1872836- UNII
- 5M62031NZP
- EC Number
- 202-826-9
- Nikkaji
- J3.587D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 100
Experimentelle und physikochemische Eigenschaften
Density
0.8568 AT 20 °C/4 °C
0.8568 @ 20°C
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- -17 °C · -17 °C (lit.)
- Siedepunkt
- 210 °C · 210 °C (lit.)
- Dichte
- 0.857 g/mL · 0.857 g/mL at 25 °C (lit.)
- Dampfdichte
- 5.6 · 5.6 (vs air)
- Dampfdruck
- 0.25 mm · 0.25 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.489(lit.)
- Flammpunkt
- 170 °F · 170 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wasserlöslichkeit
- Soluble in alcohol, ether, acetone and benzene. Insoluble in water.
- BRN
- 1854739 · 1854739
- Henry's Law Constant
- 1 · 1.0×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
- InChIKey
- SPPWGCYEYAMHDT-UHFFFAOYSA-N
- SMILES
- CC(C)c1ccc(cc1)C(C)C
- LogP
- 5.23 at · 5.23 at 25℃
- CAS Datenbank
- 100 · 100-18-5(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1,4-bis(1-methylethyl)-(100-18-5)
- EPA chemische Informationen
- p-Diisopropylbenzene (100-18-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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
Gefahrenhinweise
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)
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
Hazard Classes and Categories
Skin Irrit. 2 (74.7%)
Flammable liquids - Category 4
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
2.7 [mg/m3]
30 [mg/m3]
180 [mg/m3]
Toxikologische Informationen
Non-Human Toxicity Excerpts
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/
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29029090
- RTECS-Nr.
- CZ6360000
- risk_code
- 36/37/38-53-38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Giftige Stoffe Daten
- 100-18-5(Hazardous Substances Data)
- Hazard Classifications
- Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
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/
General Manufacturing Information
Petroleum Refineries
Benzene, 1,4-bis(1-methylethyl)-: ACTIVE
Anwendungen
Verwenden1,4-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.
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