9(E),11(E)-Octadecadienoic acid - ≥98% , CAS No.544-71-8

CAS: 544-71-8 Cat. No.: E275591 分子式: C₁₈H₃₂O₂ 分子量: 280.45

GRADE & PURITY ≥98%

Synonyms

cent-Eleostearic acid | 9(E),11(E)-Octadecadienoic acid | Ricineic acid | Q27160342 | (9E,11E)-9,11-Octadecadienoic acid | trans-9, trans-11-octadecadienoic acid | Conjugated (9E,11E)-Linoleic acid, analytical standard | Conjugated linoleic acid(9E,11E)

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Conjugated (9E,11E)-linoleic acid can be obtained via hydrogenation of linoleic acid in the middle [12,13] double bond

Specifications

同義語

cent-Eleostearic acid | 9(E),11(E)-Octadecadienoic acid | Ricineic acid | Q27160342 | (9E,11E)-9,11-Octadecadienoic acid | trans-9, trans-11-octadecadienoic acid | Conjugated (9E,11E)-Linoleic acid, analytical standard | Conjugated linoleic acid(9E,11E)

仕様と純度

≥98%

生化学的・生理学的メカニズム

Conjugated linoleic acid. For use as standard and in biological systems.

保管条件

Protected from light,Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%

名前と識別子

• カノニカル・スマイル: CCCCCCC=CC=CCCCCCCCC(=O)O
• IUPAC Name: (9E,11E)-octadeca-9,11-dienoic acid
• InChIKey: JBYXPOFIGCOSSB-XBLVEGMJSA-N
• INCHI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9+
• 異性体SMILES: CCCCCC/C=C/C=C/CCCCCCCC(=O)O
• 分子量: 280.45
• Reaxy-Rn: 8395347
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8395347&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lineolic acids and derivatives
• Alternative Parents: Long-chain fatty acids 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: Octadecanoid - Long-chain fatty acid - 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
• 説明: This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.
• 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

関連ターゲット（非人間）

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol
• 感度: Light & Air sensitive
• 分子量: 280.400 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 280.24 Da
• Monoisotopic Mass: 280.24 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 267.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• 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 ?20 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 544-71-8, the molecular formula is C18H32O2, and the molecular weight is 280.45 g/mol. InChIKey JBYXPOFIGCOSSB-XBLVEGMJSA-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.