Ethyl trans-3-hexenoate - ≥98% , CAS No.2396-83-0

CAS: 2396-83-0 Cat. No.: E117700 分子式: C₈H₁₄O₂ 分子量: 142.2 EC番号: 219-257-7

GRADE & PURITY ≥98%

Synonyms

ETHYL 3-HEXENOATE, (3E)- | Ethyl trans-3-hexenoate | MFCD00036524 | (E)-3-hexenoic acid ethyl ester | 3-Hexenoic acid ethyl ester | CAA39683 | Ethyl trans-3-hexenoate, >=98%, FG | (3E)-ethyl 3-hexenoate | 4,4'-Diaminodiphenyl oxide | Ethyl trans-3-hexenoa

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

ETHYL 3-HEXENOATE, (3E)- | Ethyl trans-3-hexenoate | MFCD00036524 | (E)-3-hexenoic acid ethyl ester | 3-Hexenoic acid ethyl ester | CAA39683 | Ethyl trans-3-hexenoate, >=98%, FG | (3E)-ethyl 3-hexenoate | 4,4'-Diaminodiphenyl oxide | Ethyl trans-3-hexenoa

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504763714

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763714

カノニカル・スマイル

CCC=CCC(=O)OCC

IUPAC Name

ethyl (E)-hex-3-enoate

InChIKey

VTSFIPHRNAESED-AATRIKPKSA-N

INCHI

1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+

異性体SMILES

CC/C=C/CC(=O)OCC

WGKドイツ

3

UN番号

3272

分子量

142.2

Reaxy-Rn

1751577

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751577&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

化学的性質と物理的性質

• 屈折率: 1.426
• 引火点（°F）: 138.2 °F
• 引火点（°C）: 59℃
• 沸点（°C）: 63-64°C
• 分子量: 142.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 2396-83-0, the molecular formula is C8H14O2, and the molecular weight is 142.2 g/mol. InChIKey VTSFIPHRNAESED-AATRIKPKSA-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.