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Merck
CN

113263

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846874
EC Number:
202-773-1
Beilstein/REAXYS Number:
1905828
MDL number:
MFCD00008889
Assay:
96%

Key Documents

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Product Name

1,3-Diisopropylbenzene, 96%

InChI key

UNEATYXSUBPPKP-UHFFFAOYSA-N

InChI

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

SMILES string

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

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.)

Quality Level

100

Gene Information

human ... GABRA1(2554)

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Application

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

General description

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

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

170.6 °F - closed cup

flash_point_c

77 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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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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