1-Ethyl-4-isopropylbenzene - ≥98% , CAS No.4218-48-8

CAS: 4218-48-8 Cat. No.: E404444 Summenformel: C₁₁H₁₆ Molekulargewicht: 148.25

GRADE & PURITY ≥98%

Synonyms

E1406 | 1-ethyl-4-propan-2-ylbenzene | FT-0692476 | Benzene, 1-ethyl-4-(1-methylethyl)- | MFCD00061006 | DTXSID00195001 | 1-Ethyl-4-isopropylbenzene | 1-ethyl-4-iso-propylbenzene | p-Ethylcumene | GUUDUUDWUWUTPD-UHFFFAOYSA-N | AKOS006272666 | Cumene, p-et

Storage

Room temperature

Specifications

Synonyme

E1406 | 1-ethyl-4-propan-2-ylbenzene | FT-0692476 | Benzene, 1-ethyl-4-(1-methylethyl)- | MFCD00061006 | DTXSID00195001 | 1-Ethyl-4-isopropylbenzene | 1-ethyl-4-iso-propylbenzene | p-Ethylcumene | GUUDUUDWUWUTPD-UHFFFAOYSA-N | AKOS006272666 | Cumene, p-et

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488182597

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182597

Kanonisches Lächeln

CCC1=CC=C(C=C1)C(C)C

IUPAC Name

1-ethyl-4-propan-2-ylbenzene

InChIKey

GUUDUUDWUWUTPD-UHFFFAOYSA-N

INCHI

1S/C11H16/c1-4-10-5-7-11(8-6-10)9(2)3/h5-9H,4H2,1-3H3

Isomere SMILES

CCC1=CC=C(C=C1)C(C)C

Molekulargewicht

148.25

Reaxy-Rn

1925437

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1925437&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.49
• Flammpunkt (°C): 66 °C
• Siedepunkt (°C): 197 °C
• Molekulargewicht: 148.240 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 148.125 Da
• Monoisotopic Mass: 148.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 96.600
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4218-48-8, the molecular formula is C11H16, and the molecular weight is 148.25 g/mol. InChIKey GUUDUUDWUWUTPD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.