structure of 1,4-Diisopropylbenzene

1,4-Diisopropylbenzene

CAS No.: 100-18-5
M. Wt: 162.271
M. Fa: C12H18
InChI Key: SPPWGCYEYAMHDT-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 1,4-Diisopropylbenzene

CAS Number

100-18-5

EC Number

202-826-9

MDL Number

MFCD00008892

IUPAC Name

1,4-di(propan-2-yl)benzene

InChI

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

InChIKey

SPPWGCYEYAMHDT-UHFFFAOYSA-N

Canonical SMILES

CC(C)C1=CC=C(C=C1)C(C)C

UNII

5M62031NZP

UNSPSC Code

12352100

Physical and chemical properties of 1,4-Diisopropylbenzene

Boiling Point

210.3 °C

BRN

1854739

Density

0.8568 AT 20 °C/4 °C

Exact Mass

162.140854

Flash Point

76.7±0.0 °C

Index of Refraction

1.488

LogP

4.90

Melting Point

-17.1 °C

Molecular Formula

C12H18

Molecular Weight

162.271

Solubility

Sol in all proportions of alcohol, ether, acetone, benzene.

Storage condition

Sealed in dry,Room Temperature

Vapour density

5.6 (vs air)

Vapour Pressure

1 MM HG AT 40.0 °C

Water Solubility

Soluble in alcohol, ether, acetone and benzene. Insoluble in water.

Safety Information of 1,4-Diisopropylbenzene

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1,4-Diisopropylbenzene

1,4-Diisopropylbenzene serves as an important chemical intermediate in various industrial applications:

  • Production of Stabilizers and Polymers: It is utilized in synthesizing stabilizers for polymers and synthetic lubricants.
  • Hydroperoxide Production: The compound is a precursor for hydroperoxides used in radical polymerization processes.
  • Chemical Manufacturing: It plays a role in producing various chemicals used in different sectors.

Interaction Studies of 1,4-Diisopropylbenzene

Research indicates that 1,4-diisopropylbenzene can react exothermically with strong oxidizing agents and bases. Its interactions with diazo compounds also yield notable reactions. Substitution at the benzene nucleus occurs readily through halogenation and other electrophilic aromatic substitution reactions. The compound's reactivity underscores its utility in organic synthesis but also necessitates careful handling due to potential hazards.

Physical sample testing spectrum (NMR) of 1,4-Diisopropylbenzene

Physical sample testing spectrum (NMR) of 1,4-Diisopropylbenzene

Retrosynthesis analysis of 1,4-Diisopropylbenzene

  • Route#1

    Cas:201230-82-2
    Cas:98-82-8
    Cas:100-18-5
  • Route#2

    Cas:71-43-2
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    Cas:100-18-5
  • Route#3

    Cas:98-82-8
    Cas:100-18-5