3-Ethylpentane - ≥93%(GC) , CAS No.617-78-7

CAS: 617-78-7 Cat. No.: E156241 Formule: C₇H₁₆ Poids moléculaire: 100.21 Beilstein Registry Number: 1(4)402 Numéro CE: 210-529-0

GRADE & PURITY ≥93%(GC)

Synonyms

3-ETHYLPENTANE | 3-ethyl-pentane | LS-13370 | NSC 74151 | Q223078 | E0046 | FT-0615664 | AORMDLNPRGXHHL-UHFFFAOYSA-N | D90425 | DTXSID8073211 | KN826QW56K | EINECS 210-529-0 | Pentane, 3-ethyl- | Triethylmethane | LMFA11000702 | NSC74151 | NSC-74151 | CHE

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

3-ETHYLPENTANE | 3-ethyl-pentane | LS-13370 | NSC 74151 | Q223078 | E0046 | FT-0615664 | AORMDLNPRGXHHL-UHFFFAOYSA-N | D90425 | DTXSID8073211 | KN826QW56K | EINECS 210-529-0 | Pentane, 3-ethyl- | Triethylmethane | LMFA11000702 | NSC74151 | NSC-74151 | CHE

Spécifications et pureté

≥93%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥93%(GC)

Noms et identifiants

Pubchem Sid

504752252

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752252

Sourires canoniques

CCC(CC)CC

IUPAC Name

3-ethylpentane

InChIKey

AORMDLNPRGXHHL-UHFFFAOYSA-N

INCHI

1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3

Isomères SMILES

CCC(CC)CC

Poids moléculaire

100.21

Beilstein

1(4)402

Reaxy-Rn

1730760

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730760&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• External Descriptors: Hydrocarbons

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.39
• Point d'éclair (°F): 6.80℉
• Point d'éclair (°C): -14°C(lit.)
• Point d'ébullition (°C): 94 °C
• Poids moléculaire: 100.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 21.500
• 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

Foire aux questions

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

This product is supplied at ≥93% 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 617-78-7, the molecular formula is C7H16, and the molecular weight is 100.21 g/mol. InChIKey AORMDLNPRGXHHL-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.