1,2,4,5-Tetraisopropylbenzene
Basic information
- CAS
635-11-0- Standard SMILES
CC(C)c1cc(C(C)C)c(C(C)C)cc1C(C)C- InChIKey
ROXLYQQDLJJEBE-UHFFFAOYSA-N- Molecular formula
- C18H30
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.23475096
Names & identifiers
- Preferred name
- 1,2,4,5-Tetraisopropylbenzene
- IUPAC
- 1,2,4,5-tetra(propan-2-yl)benzene
- English name
- 1,2,4,5-Tetraisopropylbenzene
- Molecular formula
- C18H30
- Molecular weight
- 246.43
Names & synonyms
1,2,4,5-Tetraisopropylbenzene635-11-0Benzene, 1,2,4,5-tetrakis(1-methylethyl)-1,2,4,5-tetrakis(1-methylethyl)benzeneBenzene, 1,2,4,5-tetraisopropyl-TetraisopropylbenzeneUNII-7Z46U64B61EINECS 211-227-1NSC-812757Z46U64B61NSC 81275RefChem:71466
Show more names
benzene,1,2,4,5-tetraisopropyl-1,2,4,5-Tetraisopropylbenzene (>95%)
211-227-1ROXLYQQDLJJEBE-UHFFFAOYSA-N1,2,4,5-tetra(propan-2-yl)benzene27322-46-91,2,4,5-tetrakis(propan-2-yl)benzeneNSC812751,4,5-TetraisopropylbenzeneSCHEMBL371433
Database identifiers
- CAS
635-11-0- PubChem CID
- 69456
- DTXSID
DTXSID90870739- UNII
- 7Z46U64B61
- EC Number
- 211-227-1
- Nikkaji
- J102.849I
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 118 · 118-120 °C(lit.)
- Boiling point
- 324.44 °C · 324.44°C (estimate)
- Density
- 0.758 · 0.7580
- refractive index
- 1.494 · 1.4940 (estimate)
- FDA UNII
- 7 Z46U64B61 · 7Z46U64B61
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,2,4,5-Tetraisopropylbenzene is a catalyst used along with hydrogen transfer agents to improve the base-catalyzed decomposition of Polychlorinated biphenyls (PCBs).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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