2,3-Dimethyl-2,3-diphenylbutane is one of the decomposition products of Dicumylperoxide (DCP). Diallyl orthophthalate (DAOP) is a reactive plasticizer initiated from 2,3-dimethyl-2,3-diphenylbutane and used to improve the processing of polyphenylene ether (PPO).

Physicochemical Properties

Molecular Formula	C18H22
Molecular Weight	238.37
Exact Mass	238.172
CAS #	1889-67-4
PubChem CID	74681
Appearance	Off-white to yellow solid powder
Density	0.95 g/cm3
Boiling Point	306.1ºC at 760 mmHg
Melting Point	90-110 °C
Flash Point	142.7ºC
Vapour Pressure	0.00143mmHg at 25°C
Index of Refraction	1.5531 (23ºC)
LogP	4.942
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	18
Complexity	221
Defined Atom Stereocenter Count	0
SMILES	C(C([H])([H])[H])(C([H])([H])[H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C(C([H])([H])[H])(C([H])([H])[H])C1C([H])=C([H])C([H])=C([H])C=1[H]
InChi Key	HGTUJZTUQFXBIH-UHFFFAOYSA-N
InChi Code	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
Chemical Name	(2,3-dimethyl-3-phenylbutan-2-yl)benzene
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Di Somma I, et al. Kinetic and chemical characterization of thermal decomposition of dicumylperoxide in cumene. J Hazard Mater. 2011;187(1-3):157-163. [2]. Wang H, et al. Improved Processing and Properties for Polyphenylene Oxide Modified by Diallyl Orthophthalate Prepolymer. Polymers (Basel). 2019;11(12):2016. Published 2019 Dec 5.

Solubility Data

Solubility (In Vitro)

DMSO: 25 mg/mL (104.88 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (10.49 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (10.49 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.1952 mL	20.9758 mL	41.9516 mL
	5 mM	0.8390 mL	4.1952 mL	8.3903 mL
	10 mM	0.4195 mL	2.0976 mL	4.1952 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.