1,3,5-Triisopropylbenzol

2,4,6-Triisopropylbenzene · 1,3,5-TriisopropyL · benzene,1,3,5-tris(1-methylethyl)- · 1,3,5-Triisopropylbenzol · 1,3,5-Tri-i-propylbenzene · 1,3,5-TRIISOPROPYLBENZENE · 1,3,5-Tris(isopropyl)benzene · Benzene, 1,3,5-triisopropyl-

https://huagongshe.com/de/chemical/12860

Molekülstruktur von 1,3,5-Triisopropylbenzol

Identifikatoren & physikalische Daten

CAS No.	27322-34-5
Summenformel	C15H24
Durchschnittliche Molmasse	204,35 g/mol
Monoisotopische Masse	204,18780077 g/mol
SMILES	CC(C)c1cc(C(C)C)cc(C(C)C)c1
InChIKey	VUMCUSHVMYIRMB-UHFFFAOYSA-N
PubChem CID	12860
ChEMBL	CHEMBL3187859
EC No.	211-941-3
DTXSID	DTXSID4041232
Lokaler Name	1,3,5-Triisopropylbenzol

Chemische & physikalische Eigenschaften

XLogP	5,3
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	3
Schwere Atome	15
Formalladung	0
Komplexität	133
Stoffklassen	Other Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties	Density
Dampfdruck	0.02 [mmHg]0.91Pa at 25℃
Physical Description	LiquidClear colorless liquid[Sigma-Aldrich MSDS]
Schmelzpunkt	-14--11°C
Siedepunkt	232-236 °C (lit.)
Dichte	0.845 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.488(lit.)
Flammpunkt	188 °F
Lagerbedingungen	Store below +30°C.
Aggregatzustand	Liquid
Wichte	0.845
Farbe	Clear colorless
Löslichkeit	Immiscible with water.
BRN	1862750
Henry-Konstante	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 (Verteilungskoeffizient)	6.68 at 24℃
CAS Datenbank	717-74-8(CAS DataBase Reference)
NIST chemische Informationen	Benzene, 1,3,5-tris(1-methylethyl)-(717-74-8)
EPA chemische Informationen	1,3,5-Triisopropylbenzene (717-74-8)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 10.2% (13 of 128) of reports.DangerH304 (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.
Regulatorische Informationen	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/248401,3,5-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.
Gefahrenübersicht	May cause irritation[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Asp. Tox. 1 (57.8%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	NA1993
Zollcode	29029080
Sicherheitshinweise (S)	23-24/25
Gefahrenklasse	CBL
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Beschreibung

1,3,5-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.

Verwenden

1,3,5-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.