Grundinformationen
- Standard-SMILES
CC(C)c1cc(C(C)C)cc(C(C)C)c1- InChIKey
VUMCUSHVMYIRMB-UHFFFAOYSA-N- Summenformel
- C15H24
- Durchschnittliche Molmasse
- 204,35 g/mol
- Monoisotopische Masse
- 204,18780077
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 1,3,5-Triisopropylbenzene
- IUPAC
- 1,3,5-tri(propan-2-yl)benzene
- Lokaler Name
- 1,3,5-Triisopropylbenzol
- Englischer Name
- 1,3,5-Triisopropylbenzene
- Summenformel
- C15H24
- Molmasse
- 204.35
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
27322-34-5、717-74-8- PubChem CID
- 12860
- DTXSID
DTXSID4041232- ChEMBL
CHEMBL3187859- UNII
- FR9Y346WPB
- EC Number
- 211-941-3
- Nikkaji
- J540A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 133
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Clear colorless liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -14 · -14--11°C
- Siedepunkt
- 232 · 232-236 °C (lit.)
- Dichte
- 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.91 Pa · 0.91Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.488(lit.)
- Flammpunkt
- 188 °F · 188 °F
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- Liquid
- Wichte
- 0.845 · 0.845
- Farbe
- Clear colorless
- Wasserlöslichkeit
- Immiscible with water.
- BRN
- 1862750 · 1862750
- Henry's Law Constant
- 2.5 · 2.5×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- 1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
- InChIKey
- VUMCUSHVMYIRMB-UHFFFAOYSA-N
- SMILES
- CC(C)c1cc(cc(c1)C(C)C)C(C)C
- LogP
- 6.68 at · 6.68 at 24℃
- CAS Datenbank
- 717 · 717-74-8(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1,3,5-tris(1-methylethyl)-(717-74-8)
- EPA chemische Informationen
- 1 · 1,3,5-Triisopropylbenzene (717-74-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 10.2% (13 of 128) of reports.
Danger
H304 (57.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P273, P301+P316, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Benzene, 1,3,5-tris(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3,5-tris(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: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24840
1,3,5-Triisopropylbenzene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA1993
- hs_code
- 29029080
- safety_code
- 23-24/25
- hazard_class
- CBL
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, 1,3,5-tris(1-methylethyl)-: ACTIVE
Benzene, tris(1-methylethyl)-: ACTIVE
Anwendungen
Beschreibung1,3,5-Triisopropylbenzene is a versatile compound that has several applications in various industries. It is commonly used as a fuel and fuel additive, as well as in lubricants and lubricant additives. Additionally, it is utilized in the production of 2,4,6-triisopropyl-benzenesulfonyl chloride. This compound is also effective as a swelling agent in the synthesis of mesoporous silica with hexagonal pores. Furthermore, it serves as a micelle expander in the creation of magnetic mesoporous silica nanoparticles.
Verwenden1,3,5-Triisopropylbenzene can be usually used as swelling agent during the synthesis of mesoporous silicas with two-dimensional hexagonal pores,also used as micelle expander in the synthesis of highly ordered mesoporous SBA-15 silica and magnetic mesoporous silica nanoparticles.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…