1,4-Diisopropylbenzene - ≥98%(GC) , CAS No.100-18-5

CAS: 100-18-5 Cat. No.: D155007 Molecular Weight: 162.28 Beilstein Registry Number: 1854740 EC Number: 202-826-9

GRADE & PURITY ≥98%(GC)

Synonyms

1,4-diisopropyl benzene | Benzene, 1,4-bis(1-methylethyl)- | Benzene, 1,4-diisopropyl- | Benzene, p-diisopropyl-, | DTXSID2026652 | p-Diisopropylbenzene | P-DI-ISO-PROPYLBENZENE | 1,4-DIISOPROPYLBENZENE | 1,4-Di-isopropylbenzene | 1,4-Di-iso-propylbenzene

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1,4-diisopropylbenzene (DIPB) is one of the components of crude petroleum
1,4-diisopropylbenzene (DIPB) has been used in the Trivalent Actinide-Lanthanide Separation by Phosphorus reagent Extraction from Aqueous Komplexes (TALSPEAK) process for separating trivalent lanthanides from trivalent actinide cations, in used nuclear fuel reprocessing.

Specifications

Synonyms

1, 4-diisopropyl benzene | Benzene, 1, 4-bis(1-methylethyl)- | Benzene, 1, 4-diisopropyl- | Benzene, p-diisopropyl-, | DTXSID2026652 | p-Diisopropylbenzene | P-DI-ISO-PROPYLBENZENE | 1, 4-DIISOPROPYLBENZENE | 1, 4-Di-isopropylbenzene | 1, 4-Di-iso-propylbenzene

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488180458
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180458
• Canonical Smiles: CC(C)C1=CC=C(C=C1)C(C)C
• IUPAC Name: 1,4-di(propan-2-yl)benzene
• InChIKey: SPPWGCYEYAMHDT-UHFFFAOYSA-N
• INCHI: 1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
• Isomeric SMILES: CC(C)C1=CC=C(C=C1)C(C)C
• WGK Germany: 2
• RTECS: CZ6360000
• UN Number: 3082
• Packing Group: III
• Molecular Weight: 162.28
• Beilstein: 1854740
• Reaxy-Rn: 1854739
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1854739&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, ether, acetone and benzene. Insoluble in water.
• Refractive Index: 1.489
• Flash Point(°F): 168.8 °F
• Flash Point(°C): 75°C
• Boil Point(°C): 210 °C
• Melt Point(°C): -17°C
• Molecular Weight: 162.270 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 162.141 Da
• Monoisotopic Mass: 162.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1