4-Pentenoic Acid - ≥98%(GC)(T) , CAS No.591-80-0

CAS: 591-80-0 Cat. No.: P160582 Molecular Weight: 100.12 EC Number: 209-732-7 PubChem CID: 61138

GRADE & PURITY ≥98%(GC)(T)

Synonyms

FT-0676299 | InChI=1/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7 | NCGC00188966-01 | NSC9000 | NSC-9000 | HY-Y0624 | 4-pentenic acid | C5:1n-1 | PD124022 | BBL027458 | DTXCID8024448 | F2190-0007 | delta4-Pentenoic acid | Delta(4)-pentenoic acid | 4-Pentenoic

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

The sulfonation of 4-pentenoic acid (Allylacetic acid) yields the corresponding γ-lactone
4-Pentenoic acid (Allylacetic acid) was used to inhibit fatty acid oxidation in rat heart mitochondria.

Specifications

Synonyms

FT-0676299 | InChI=1/C5H8O2/c1-2-3-4-5(6)7/h2H, 1, 3-4H2, (H, 6, 7 | NCGC00188966-01 | NSC9000 | NSC-9000 | HY-Y0624 | 4-pentenic acid | C5:1n-1 | PD124022 | BBL027458 | DTXCID8024448 | F2190-0007 | delta4-Pentenoic acid | Delta(4)-pentenoic acid | 4-Pentenoic

Specifications & Purity

≥98%(GC)(T)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 508809380
• Canonical Smiles: C=CCCC(=O)O
• IUPAC Name: pent-4-enoic acid
• InChIKey: HVAMZGADVCBITI-UHFFFAOYSA-N
• INCHI: 1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
• Isomeric SMILES: C=CCCC(=O)O
• WGK Germany: 1
• RTECS: SB2800000
• PubChem CID: 61138
• Molecular Weight: 100.12
• Reaxy-Rn: 1633696

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• External Descriptors: Unsaturated fatty acids

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, Slightly soluble in water
• Refractive Index: 1.428
• Flash Point(°F): 192°F
• Flash Point(°C): 89℃
• Boil Point(°C): 187-189℃
• Melt Point(°C): -22.5°C
• Molecular Weight: 100.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 76.100
• 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

References

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6. Yingchao Sun, Yuxin Chai, Shuangming Li, Yongcheng Chen, Chunhui Ma, Rongzheng Huang, Fanfan Zhang.  (2025)  Effects of 4-Pentenoic Acid and Malic Acid on Dynamics of Bacterial Communities and Fermentation Characteristics in Nettle Silage.  Microorganisms,  13  (9): (2088).  [PMID:41011420] [10.3390/microorganisms13092088]

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