Ácido elaídico - ≥98% , CAS No.112-79-8

CAS: 112-79-8 Cat. No.: E101312 Fórmula: C₁₈H₃₄O₂ Peso molecular: 282.46 Beilstein Registry Number: 1726543 Número CE: 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

Armazenar a -20°C, carregado com árgon

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

O ácido elaídico é o isómero 9-trans do ácido oleico. Trata-se de um ácido gordo trans monoinsaturado que pode ser encontrado em óleos alimentares parcialmente hidrogenados. Nas plaquetas humanas incubadas com ácido araquidónico, o ácido elaídico inibe a formação de HHT e de HETE, induzindo a síntese de prostaglandinas e de tromboxanos.
Ácido gordo trans monoinsaturado que inibe a formação de HHT e HETE nas plaquetas.

Specifications

Sinónimos

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

isómero 9-trans do ácido oleico. Inibe a formação de HHT e HETE, induz a síntese de prostaglandinas e de tromboxanos nas plaquetas. Possível atividade antitumoral.

Condições de armazenamento de armazenamento

Armazenar a -20°C, carregado com árgon

Enviado em

Arca de gelo + almofadas de gelo

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488190842
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190842
• Sorrisos canónicos: 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+
• SMILES isoméricas: CCCCCCCC/C=C/CCCCCCCC(=O)O
• WGK Alemanha: 1
• RTECS: JX6125000
• Número UN: 1206
• Peso molecular: 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
    • 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: 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
• Descrição: 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

Alvos associados (humanos)

TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FABP4 Tchem Fatty acid binding protein adipocyte (764 Activities)

Discover Target: FABP4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: CRABP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

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Alvos associados (não humanos)

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

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Enterococcus hirae (484 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (<0.1 mg/ml at 25 °C), chloroform (50 mg/ml), DMSO (~100 mg/ml), DMF (~100 mg/ml), and ethanol.
• Sensibilidade: heat sensitive, air sensitive
• Ponto de inflamação (°F): >235.4 °F
• Ponto de inflamação (°C): >113 °C
• Ponto de ebulição (°C): 288 °C/100 mmHg
• Ponto de fusão (°C): 42-44°C
• Peso molecular: 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

Referências

1. Jing Lu, Ziheng Chen, Xiujuan Bu, Shanshan Chen, Shuang Guan.  (2023)  Elaidic acid induced hepatocyte pyroptosis via autophagy-CTSB-NLRP3 pathway.  FOOD AND CHEMICAL TOXICOLOGY,      [PMID:37748573] [10.1016/j.fct.2023.114060]

2. Fei-Hua Wang, Xiao-Feng Guo, Yao-Cheng Fan, Hai-Bin Tang, Wei Liang, Hong Wang.  (2022)  Determination of trans-fatty acids in food samples based on the precolumn fluorescence derivatization by high performance liquid chromatography.  JOURNAL OF SEPARATION SCIENCE,  45  (8): (1425-1433).  [PMID:35112469] [10.1002/jssc.202100792]

3. Tianli Guo, Hongrui Hou, Yufan Liu, Ling Chen, Bo Zheng.  (2021)  In vitro digestibility and structural control of rice starch-unsaturated fatty acid complexes by high-pressure homogenization.  CARBOHYDRATE POLYMERS,      [PMID:33483084] [10.1016/j.carbpol.2020.117607]

4. Xiaochao Zhang, Jiabing Wei, Guangmin Ren, Changming Zhang, Zhanfeng Zheng, Caimei Fan.  (2019)  BiOBr-photocatalyzed cis–trans isomerization of 9-octadecenoic acids in different atmospheres.  Catalysis Science & Technology,  9  (13): (3380-3387).  [PMID:] [10.1039/C9CY00339H]

5. Feng Zhang, Xiaojie Wang, Xu Jie, Weili Wei.  (2018)  Test Paper for Colorimetric Inspection of Fatty Acids and Edible Oils.  SENSORS,  18  (10): (3252).  [PMID:30262762] [10.3390/s18103252]

6. Jingqing Wu, Ying Ge, Weidong Qin.  (2014)  Combination of Running-Buffer-Mediated Extraction and Polyamidoamine-Dendrimer-Assisted Capillary Electrophoresis for Rapid and Sensitive Determination of Free Fatty Acids in Edible Oils.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:24758299] [10.1021/jf4056105]

7. Yibo Zhang, Yang Liu, Wei Wang, Chunlai Liu, Hongyu Zhou, Na Wang, Jianglei Hu, Fengwei Shi.  (2025)  Design of dual active site composites of HPW@MOF-199 embedded in SBA-15 functionalized with -COOH groups: Efficient catalysts for esterification reactions.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2025.114824]

8. Bin Wang, Kai Gao, Yujie Wang, Qiuying Chang, He Yang.  (2024)  Synergistic dispersion, adsorption, and anti-wear effects of magnesium silicate hydroxide nanomaterials and carboxylic acid.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2024.160373]

9. Bo Zheng, Hui Wen, Xingwei Xiang, Bin Zheng.  (2026)  Hierarchical assembly and digestive resistance of starch-unsaturated fatty acid complexes regulated by ultrasound-assisted high-pressure microfluidization.  CARBOHYDRATE POLYMERS,      [PMID:] [10.1016/j.carbpol.2026.125153]

Perguntas frequentes

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.