cis-3-Hexenyl Pyruvate - ≥95%(GC)(T) , CAS No.68133-76-6

CAS: 68133-76-6 Cat. No.: C154084 Summenformel: C₉H₁₄O₃ Molekulargewicht: 170.21 EG-Nummer: 268-703-7

GRADE & PURITY ≥95%

Synonyms

EINECS 268-703-7 | Q27266303 | FEMA 3934 | (3Z)-3-hexenyl pyruvate | (Z)-hex-3-en-1-yl 2-oxopropanoate | (Z)-3-Hexenyl pyruvate | 1-Propyn-3-yl alcohol | Propanoic acid, 2-oxo-,(3Z)-3-hexen-1-yl ester | Pyruvic Acid cis-3-Hexenyl Ester | 3-Hexenyl 2-oxopr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

EINECS 268-703-7 | Q27266303 | FEMA 3934 | (3Z)-3-hexenyl pyruvate | (Z)-hex-3-en-1-yl 2-oxopropanoate | (Z)-3-Hexenyl pyruvate | 1-Propyn-3-yl alcohol | Propanoic acid, 2-oxo-,(3Z)-3-hexen-1-yl ester | Pyruvic Acid cis-3-Hexenyl Ester | 3-Hexenyl 2-oxopr

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CCC=CCCOC(=O)C(=O)C

IUPAC Name

[(Z)-hex-3-enyl] 2-oxopropanoate

InChIKey

LKNXTZXOBHAYSR-PLNGDYQASA-N

INCHI

1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-

Isomere SMILES

CC/C=C\CCOC(=O)C(=O)C

Molekulargewicht

170.21

Reaxy-Rn

37847695

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37847695&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Keto acids and derivatives
      • Subclass Alpha-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Keto acids and derivatives
• Subclass: Alpha-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-keto acids and derivatives
• Alternative Parents: Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-keto acid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Brechungsindex: 1.44
• Flammpunkt (°F): 108°C(lit.)
• Flammpunkt (°C): 108°C(lit.)
• Siedepunkt (°C): 98°C/12mmHg(lit.)
• Molekulargewicht: 170.210 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 170.094 Da
• Monoisotopic Mass: 170.094 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 182.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

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

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 68133-76-6, the molecular formula is C9H14O3, and the molecular weight is 170.21 g/mol. InChIKey LKNXTZXOBHAYSR-PLNGDYQASA-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.