1,1,4-Trimethylcyclohexane - ≥98%(GC) , CAS No.7094-27-1

CAS: 7094-27-1 Cat. No.: T161699 Formula: C₉H₁₈ Peso molecolare: 126.24 Numero EC: 678-407-3 PubChem CID: 35365

GRADE & PURITY ≥98%(GC)

Synonyms

T72861 | InChI=1/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3 | 1,1,4-Trimethylcyclohexane | DTXSID50221167 | T0823 | UIWORXHEVNIOJG-UHFFFAOYSA-N | Cyclohexane, 1,1,4-trimethyl- | UIWORXHEVNIOJG-UHFFFAOYSA- | MFCD00058950 | 1,1,4-Trimethyl cyclohexane | FT-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

T72861 | InChI=1/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3 | 1,1,4-Trimethylcyclohexane | DTXSID50221167 | T0823 | UIWORXHEVNIOJG-UHFFFAOYSA-N | Cyclohexane, 1,1,4-trimethyl- | UIWORXHEVNIOJG-UHFFFAOYSA- | MFCD00058950 | 1,1,4-Trimethyl cyclohexane | FT-

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Sorrisi canonici: CC1CCC(CC1)(C)C
• IUPAC Name: 1,1,4-trimethylcyclohexane
• InChIKey: UIWORXHEVNIOJG-UHFFFAOYSA-N
• INCHI: 1S/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3
• Isomeri SMILES: CC1CCC(CC1)(C)C
• PubChem CID: 35365
• Peso molecolare: 126.24
• Reaxy-Rn: 1900455

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.43
• Punto di infiammabilità (°C): 25 °C
• Punto di ebollizione (°C): 135°C(lit.)
• Peso molecolare: 126.240 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 126.141 Da
• Monoisotopic Mass: 126.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 82.200
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 7094-27-1, the molecular formula is C9H18, and the molecular weight is 126.24 g/mol. InChIKey UIWORXHEVNIOJG-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.