3-Ethyl-2-pentene - ≥98%(GC) , CAS No.816-79-5

CAS: 816-79-5 Cat. No.: E156180 Formula: C₇H₁₄ Molecular Weight: 98.19 Beilstein Registry Number: 1(4)868 EC Number: 212-438-1

GRADE & PURITY ≥98%(GC)

Synonyms

1,1-Diethyl-1-propene|2-Pentene, 3-ethyl-|3-ETHYL-2-PENTENE|3-ethyl-pent-2-ene|3-Ethylpent-2-ene

Storage

Room temperature

Shipped In

Normal

Overview

Product Describtion:

3-Ethyl-2-pentene is a trisubstituted olefin.

Product Application:

3-Ethyl-2-pentene may be used in the preparation of:

(2E,3R)-2-hydroxy-3,4-dimethyl-N-phenylpent-4-enamide;

3-ethyl-1-pentene;

5-ethyl-2,4-dimethyl-4-hepten-3-one.

Specifications

Synonyms

1,1-Diethyl-1-propene | 2-Pentene, 3-ethyl- | 3-ETHYL-2-PENTENE | 3-ethyl-pent-2-ene | 3-Ethylpent-2-ene

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

504752427

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752427

Canonical Smiles

CCC(=CC)CC

IUPAC Name

3-ethylpent-2-ene

InChIKey

XMYFZAWUNVHVGI-UHFFFAOYSA-N

INCHI

1S/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3

Isomeric SMILES

CCC(=CC)CC

WGK Germany

3

Molecular Weight

98.19

Beilstein

1(4)868

Reaxy-Rn

1731748

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Unsaturated aliphatic hydrocarbons Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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

Chemical and Physical Properties

• Refractive Index: 1.4130 to 1.4160
• Flash Point(°F): 35.6 °F
• Flash Point(°C): 2°C
• Boil Point(°C): 96°C
• Molecular Weight: 98.190 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 98.1096 Da
• Monoisotopic Mass: 98.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.400
• 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

Frequently Asked Questions

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 816-79-5, the molecular formula is C7H14, and the molecular weight is 98.19 g/mol. InChIKey XMYFZAWUNVHVGI-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.