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113263

Sigma-Aldrich

1,3-Diisopropylbenzene

96%

Synonym(s):

3-Isopropylcumene

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About This Item

Linear Formula:
C6H4[CH(CH3)2]2
CAS Number:
99-62-7
Molecular Weight:
162.27
Beilstein:
1905828
EC Number:
202-773-1
MDL number:
MFCD00008889
UNSPSC Code:
12352100
PubChem Substance ID:
24846874
NACRES:
NA.22
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Quality Level

100

Assay

96%

autoignition temp.

840 °F

impurities

<5% 1,2 and 1,4- isomer

refractive index

n20/D 1.488 (lit.)

bp

203 °C (lit.)

mp

−63 °C (lit.)

density

0.856 g/mL at 25 °C (lit.)

SMILES string

CC(C)c1cccc(c1)C(C)C

InChI

1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3

InChI key

UNEATYXSUBPPKP-UHFFFAOYSA-N

Gene Information

human ... GABRA1(2554)

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General description

1,3-Diisopropylbenzene undergoes anodic oxidation in methanol to yield dimethoxy-functionalized product[1].

Application

1,3-Diisopropylbenzene was used in the synthesis of benzene-1,3,5-triphosphonic acid[2].

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

170.6 °F - closed cup

Flash Point(C)

77 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBD8848V
04714TE
06327LV
03021KX
13827TO

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Martin A Bohn et al.
ChemSusChem, 3(7), 823-828 (2010-05-15)
The anodic oxidation of 1,3-diisopropylbenzene in methanol gave exclusively the desired dimethoxy-functionalized product in excellent yield when potassium bromate was utilized as supporting electrolyte. Similar electrochemical conversions in other alcoholic solvents were not successful based on the low conductivity of
Pramanik M and Bhaumik A.
Journal of Material Chemistry A, 1(37), 11210-11220 (2013)
Timo Rhauderwiek et al.
Chemical science, 9(24), 5467-5478 (2018-07-17)
The Ni-metallated porphyrin-based tetraphosphonic acid (Ni-tetra(4-phosphonophenyl)porphyrin, Ni-H8TPPP) was used for the synthesis of highly porous metal phosphonates containing the tetravalent cations Zr4+ and Hf4+. The compounds were thoroughly characterized regarding their sorption properties towards N2 and H2O as well as
Georg Bendt et al.
Dalton transactions (Cambridge, England : 2003), 44(32), 14272-14280 (2015-07-22)
Thermolysis of the single source precursor (Et2Bi)2Te in DIPB at 80 °C yielded phase-pure Bi4Te3 nanoparticles, while mixtures of Bi4Te3 and elemental Bi were formed at higher temperatures. In contrast, cubic Bi2Te particles were obtained by thermal decomposition of Et2BiTeEt
Neepa Choksi et al.
Cutaneous and ocular toxicology, 39(3), 180-192 (2020-06-27)
OptiSafe is an in chemico test method that identifies potential eye irritants based on macromolecular damage following test chemical exposure. The OptiSafe protocol includes a prescreen assessment that identifies test chemicals that are outside the applicability domain of the test

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