4-Pentenal - ≥95%, containing 10% DCM stabilizer , CAS No.2100-17-6

CAS: 2100-17-6 Cat. No.: P100570 Formula: C₅H₈O Molecular Weight: 84.13 EC Number: 218-265-8

GRADE & PURITY ≥95%, containing 10% DCM stabilizer

Synonyms

4-PENTENAL | FT-0619354 | EINECS 218-265-8 | 4-PENTENAL [FHFI] | EN300-128781 | MFCD00151841 | UNII-71K1W8950B | 4-PENT-4-ENAL | BRN 1734369 | FEMA NO. 4262 | pent-4-enal | A4558 | AKOS009157546 | 4-Pentenal, AldrichCPR | AI3-24690 | QUMSUJWRUHPEEJ-UHFFFA

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Application：

4-Pentenal is used in the preparation of 6-octen-3-one by addition with ethylene using 2,4-pentanedionatobis(ethylene)rhodium(I) as a catalyst.

Specifications

Synonyms

4-PENTENAL | FT-0619354 | EINECS 218-265-8 | 4-PENTENAL [FHFI] | EN300-128781 | MFCD00151841 | UNII-71K1W8950B | 4-PENT-4-ENAL | BRN 1734369 | FEMA NO. 4262 | pent-4-enal | A4558 | AKOS009157546 | 4-Pentenal, AldrichCPR | AI3-24690 | QUMSUJWRUHPEEJ-UHFFFA

Specifications & Purity

≥95%, containing 10% DCM stabilizer

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C=CCCC=O
• IUPAC Name: pent-4-enal
• InChIKey: QUMSUJWRUHPEEJ-UHFFFAOYSA-N
• INCHI: 1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2
• Isomeric SMILES: C=CCCC=O
• Molecular Weight: 84.13
• Reaxy-Rn: 1734369
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734369&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydrogen aldehydes
• Alternative Parents: Short-chain aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.
• 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

• Solubility: Soluble in ether and acetone.
• Sensitivity: Air sensitive.
• Refractive Index: 1.421
• Flash Point(°F): 44°F
• Flash Point(°C): 7°C
• Boil Point(°C): 101-105°C
• Molecular Weight: 84.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 84.0575 Da
• Monoisotopic Mass: 84.0575 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 47.900
• 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?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2100-17-6, the molecular formula is C5H8O, and the molecular weight is 84.13 g/mol. InChIKey QUMSUJWRUHPEEJ-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.