tert-Butylcyclohexane - ≥99%(GC) , CAS No.3178-22-1

CAS: 3178-22-1 Cat. No.: I135611 Formula: C₁₀H₂₀ Peso molecolare: 140.27 Beilstein Registry Number: 5(1)20 Numero EC: 221-652-4

GRADE & PURITY ≥99%(GC)

Synonyms

1-tert-Butylcyclohexane | 4-t-butylcyclohexane | DTXSID80185642 | InChI=1/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H | t-butyl cyclohexane | B0823 | NSC 73719 | F17044 | NSC73719 | NSC-73719 | Cyclohexane, tert-butyl- | Cyclohexane, t-butyl- | J-018537

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

1-tert-Butylcyclohexane | 4-t-butylcyclohexane | DTXSID80185642 | InChI=1/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H | t-butyl cyclohexane | B0823 | NSC 73719 | F17044 | NSC73719 | NSC-73719 | Cyclohexane, tert-butyl- | Cyclohexane, t-butyl- | J-018537

Specifiche e purezza

≥99%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%(GC)

Nomi e identificatori

Pubchem Sid

488182482

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182482

Sorrisi canonici

CC(C)(C)C1CCCCC1

IUPAC Name

tert-butylcyclohexane

InChIKey

XTVMZZBLCLWBPM-UHFFFAOYSA-N

INCHI

1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

Isomeri SMILES

CC(C)(C)C1CCCCC1

RTECS

GU9384375

Numero UN

3295

Gruppo di imballaggio

III

Peso molecolare

140.27

Beilstein

5(1)20

Reaxy-Rn

1900578

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900578&ln=

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: 1.45
• Punto di infiammabilità (°C): 42°C(lit.)
• Punto di ebollizione (°C): 171 °C
• Peso molecolare: 140.270 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 140.157 Da
• Monoisotopic Mass: 140.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 91.100
• 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 ≥99% 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 3178-22-1, the molecular formula is C10H20, and the molecular weight is 140.27 g/mol. InChIKey XTVMZZBLCLWBPM-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.