5-Hexenoic Acid - ≥98%(GC) , CAS No.1577-22-6

CAS: 1577-22-6 Cat. No.: H157078 Formula: C₆H₁₀O₂ Peso molecolare: 114.14 Beilstein Registry Number: 2(4)1562 Numero EC: 628-738-4

GRADE & PURITY ≥98%(GC)

Synonyms

LMFA01030011 | AMY759 | 5-Hexenoic acid, 98% | C6:1n-1 | J-800342 | delta-hexenoic acid | 5-HEXENOIC ACID | A929881 | EN300-99074 | DTXSID30166305 | H0875 | Hex-5-enoic acid | SY050075 | MFCD00046558 | FT-0620448 | Z1205493561 | J-640339 | D86337 | SCHEMB

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

LMFA01030011 | AMY759 | 5-Hexenoic acid, 98% | C6:1n-1 | J-800342 | delta-hexenoic acid | 5-HEXENOIC ACID | A929881 | EN300-99074 | DTXSID30166305 | H0875 | Hex-5-enoic acid | SY050075 | MFCD00046558 | FT-0620448 | Z1205493561 | J-640339 | D86337 | SCHEMB

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488182097
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182097
• Sorrisi canonici: C=CCCCC(=O)O
• IUPAC Name: hex-5-enoic acid
• InChIKey: XUDOZULIAWNMIU-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
• Isomeri SMILES: C=CCCCC(=O)O
• WGK Germania: 3
• Peso molecolare: 114.14
• Beilstein: 2(4)1562
• Reaxy-Rn: 1743172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743172&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - 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
• Descrizione: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Indice di rifrazione: 1.435
• Punto di infiammabilità (°F): 219.2 °F
• Punto di infiammabilità (°C): 104°C
• Punto di ebollizione (°C): 105 °C/15 mmHg
• Peso molecolare: 114.140 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.500
• 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

Domande frequenti

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 1577-22-6, the molecular formula is C6H10O2, and the molecular weight is 114.14 g/mol. InChIKey XUDOZULIAWNMIU-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.