Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
Basic information
- CAS
1889-67-4- Standard SMILES
CC(C)(c1ccccc1)C(C)(C)c1ccccc1- InChIKey
HGTUJZTUQFXBIH-UHFFFAOYSA-N- Molecular formula
- C18H22
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.1721507
Names & identifiers
- Preferred name
- Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
- IUPAC
- (2,3-dimethyl-3-phenylbutan-2-yl)benzene
- English name
- 2,3-Dimethyl-2,3-diphenylbutane
- Molecular formula
- C18H22
- Molecular weight
- 238.37
Names & synonyms
2,3-Dimethyl-2,3-diphenylbutane1889-67-4Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-bicumylInterox CC-DFBPerkadox 301,1'-(1,1,2,2-Tetramethylethylene)dibenzene2,3-Diphenyl-2,3-dimethylbutaneEINECS 217-568-21,2-DiphenyltetramethylethaneAI3-23740DTXSID1062043
Show more names
DICUMENEDicumyl3-Dimethyl-23-diphenylbutanealpha,alpha'-DicumylSALOR-INT L170127-1EA
EC 217-568-21,1'-[1,1,2,2-Tetramethyl-1,2-ethandiyl]bis[benzene]1,1,2,2-Tetramethyl-1,2-diphenylethane1,1'-(1,1,2,2-Tetramethyl-1,2-ethandiyl)bis(benzene)RefChem:117276DTXCID9035967217-568-2HGTUJZTUQFXBIH-UHFFFAOYSA-N
Database identifiers
- CAS
1889-67-4- PubChem CID
- 74681
- DTXSID
DTXSID1062043- UNII
- P9AUQ66PZS
- EC Number
- 217-568-2
- Nikkaji
- J22.355G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
Physical DescriptionLarge Crystals; Dry Powder; Liquid
Physicochemical properties
- Melting point
- 90 · 90-110 °C
- Boiling point
- 335.97 °C · 335.97°C (estimate)
- Density
- 0.9859 · 0.9859 (estimate)
- vapor pressure
- 0.015 Pa · 0.015Pa at 20℃
- refractive index
- 1.5413 · 1.5413 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- Flakes, Crystalline Powder or Chunks
- color
- White to light yellow
- Water Solubility
- insoluble
- InChI
- InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
- InChIKey
- HGTUJZTUQFXBIH-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1)(C)(C)C(C1=CC=CC=C1)(C)C
- LogP
- 6.68 at · 6.68 at 25℃
- FDA UNII
- 9 AUQ66PZS · P9AUQ66PZS
- NIST Chemistry Reference
- 1 · Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-(1889-67-4)
- EPA Substance Registry System
- 2 · 2,3-Dimethyl-2,3-diphenylbutane (1889-67-4)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- HS Code
- 29029090 · 29029090
- REACH Registrations
- Active
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 5.9% (11 of 186) of reports.
Warning
H317 (93%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 186 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis- 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: 1,1'-(1,1,2,2-tetramethylethylene)dibenzene (EC: 217-568-2)
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-: 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.
Hazard Classes and CategoriesSkin Sens. 1 (93%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29029090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 24/25
- Hazard statements
- H226
- REACH Registrations
- Active
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 75,000 - <100,000 lb
Industry UsesPlasticizer
General Manufacturing Information
Plastics Material and Resin Manufacturing
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-: ACTIVE
Applications
Description2,3-Dimethyl-2,3-diphenylbutane is one of the decomposition of Dicumylperoxide (DCP). Diallyl orthophthalate (DAOP) is a reactive plasticizer initiated by 2,3-dimethyl-2,3-diphenylbutane for improving polyphenylene oxide (PPO) processing.
Uses2,3-Dimethyl-2,3-diphenylbutane (DMDPB) is a new type of polymer material additive. It could used as a flame retardant synergist for polymer materials. This material can reduce the amount of flame retardant, reduce the effect of flame retardant on polymer performance, and endow polymer materials with flame retardant properties. It can also be used as a catalyst or initiator for polymer crosslinking, grafting, and copolymerization, and can be used for the modification of various polymer materials. For example, the thermolysis of 2,3-dimethyl-2,3-diphenylbutane at temperatures ranging from 220 to 310 °C is used to initiate the radical-mediated graft addition of vinyltriethoxysilane (VTEOS) to polyethylene[1].
Uses2,3-Dimethyl-2,3-diphenylbutane, also known as Dicumene or 1,1 -(1,1,2,2-tetramethylethylene)dibenzene, is an environment friendly replacement for Antimony Tri-oxide (Sb2O3) and is commonly used as a flame retardant (FR) synergist for polypropylene and polystyrene, especially in expandable polystyrene (EPS).
Upstream & downstream products
Upstream raw materials
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