1,3,5-Triisopropylbenzene
Basic information
- CAS
27322-34-5- Standard SMILES
CC(C)c1cc(C(C)C)cc(C(C)C)c1- InChIKey
VUMCUSHVMYIRMB-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3,5-Triisopropylbenzene
- IUPAC
- 1,3,5-tri(propan-2-yl)benzene
- English name
- 1,3,5-Triisopropylbenzene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
1,3,5-TRIISOPROPYLBENZENE717-74-82,4,6-TriisopropylbenzeneBenzene, 1,3,5-tris(1-methylethyl)-Benzene, 1,3,5-triisopropyl-DTXSID40412321,3,5-tris(1-methylethyl)benzeneFR9Y346WPBNSC-403075DTXCID2021232RefChem:906831211-941-3
Show more names
1,3,5-TriisopropyLbenzene,1,3,5-tris(1-methylethyl)-1,3,5-Triisopropylbenzol1,3,5-Tri-i-propylbenzene1,3,5-Tris(isopropyl)benzene1,3,5-Triisopropylbenzene,95%1,3,5-Triisopropylbenzene 95%
1,3,5-tri(propan-2-yl)benzene1,3,5-tris(propan-2-yl)benzeneMFCD0000889027322-34-5UNII-FR9Y346WPBEINECS 211-941-3NSC403075NSC 403075
Database identifiers
- CAS
27322-34-5、717-74-8- PubChem CID
- 12860
- DTXSID
DTXSID4041232- ChEMBL
CHEMBL3187859- UNII
- FR9Y346WPB
- EC Number
- 211-941-3
- Nikkaji
- J540A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials PropertiesDensity
Vapor Pressure0.02 [mmHg]
Physical Description
Liquid
Clear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -14 · -14--11°C
- Boiling point
- 232 · 232-236 °C (lit.)
- Density
- 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
- vapor pressure
- 0.91 Pa · 0.91Pa at 25℃
- refractive index
- 20 · n20/D 1.488(lit.)
- Flash point
- 188 °F · 188 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
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 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.
Hazard information
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)
REACH registered substance: 1,3,5-triisopropylbenzene (EC: 211-941-3)
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.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAsp. Tox. 1 (57.8%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA1993
- hs_code
- 29029080
Chemistry & industry
Uses & manufacturing
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as an intermediate; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, 1,3,5-tris(1-methylethyl)-: ACTIVE
Benzene, tris(1-methylethyl)-: ACTIVE
Applications
Description1,3,5-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.
Uses1,3,5-Triisopropylbenzene is used as a micelle expander in hybrid periodic mesoporous organosilica designed to improve the properties of immobilized enzymes.
Uses1,3,5-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.
Upstream & downstream products
Upstream raw materials
Related reactions
12 records
Compound notes
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