113263

1,3-Diisopropylbenzene

96%

• Synonym(s): 3-Isopropylcumene
• 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

Properties

• 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)

Description

General description

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

Application

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

Safety Information

• 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