Elaidic acid - ≥98% , CAS No.112-79-8

CAS: 112-79-8 Cat. No.: E101312 分子式: C₁₈H₃₄O₂ 分子量: 282.46 Beilstein Registry Number: 1726543 EC番号: 204-006-6

GRADE & PURITY ≥98%

Synonyms

trans-Octadec-9-enoic acid | 4837010H8C | 9-elaidic acid | OLEIC-13C18 ACID | SR-01000946663-1 | (9E)-octadec-9-enoic acid | CHEBI:27997 | EN300-1697685 | trans-.delta.(sup 9)-Octadecenoic acid | 9-octadecenoicacid | AKOS000278123 | EINECS 217-977-6 | SCH

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Elaidic acid is the 9-trans isomer of oleic acid. It is a monounsaturated trans-fatty acid which can be found in partially hydrogenated cooking oils. In human platelets incubated with arachidonic acid, elaidic acid inhibits HHT and HETE formation while inducing prostaglandin and thromboxane synthesis.
A monounsaturated trans-fatty acid that inhibits HHT and HETE formation in platelets.

Specifications

同義語

trans-Octadec-9-enoic acid | 4837010H8C | 9-elaidic acid | OLEIC-13C18 ACID | SR-01000946663-1 | (9E)-octadec-9-enoic acid | CHEBI:27997 | EN300-1697685 | trans-.delta.(sup 9)-Octadecenoic acid | 9-octadecenoicacid | AKOS000278123 | EINECS 217-977-6 | SCH

仕様と純度

≥98%

生化学的・生理学的メカニズム

9-trans isomer of oleic acid. Inhibits HHT and HETE formation, induces prostaglandin and thromboxane synthesis in platelets. Possible antitumor activity.

保管条件

Store at -20°C,Argon charged

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

パブケム・シド

488190842

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488190842

カノニカル・スマイル

CCCCCCCCC=CCCCCCCCC(=O)O

IUPAC Name

(E)-octadec-9-enoic acid

InChIKey

ZQPPMHVWECSIRJ-MDZDMXLPSA-N

INCHI

1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+

異性体SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O

WGKドイツ

1

RTECS

JX6125000

UN番号

1206

分子量

282.46

Beilstein

1726543

Reaxy-Rn

1726541

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726541&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-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: Long-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
• 説明: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

関連ターゲット（人間）

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CRABP2 Tchem Cellular retinoic acid-binding protein II (10 Activities)

Discover Target: CRABP2

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TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

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関連ターゲット（非人間）

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus hirae (484 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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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 water (<0.1 mg/ml at 25 °C), chloroform (50 mg/ml), DMSO (~100 mg/ml), DMF (~100 mg/ml), and ethanol.
• 感度: heat sensitive, air sensitive
• 引火点（°F）: >235.4 °F
• 引火点（°C）: >113 °C
• 沸点（°C）: 288 °C/100 mmHg
• 融点（°C）: 42-44°C
• 分子量: 282.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 282.256 Da
• Monoisotopic Mass: 282.256 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 234.000
• 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 ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 112-79-8, the molecular formula is C18H34O2, and the molecular weight is 282.46 g/mol. InChIKey ZQPPMHVWECSIRJ-MDZDMXLPSA-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.