Elaidic acid - ≥98% , CAS No.112-79-8

CAS: 112-79-8 Cat. No.: E101312 Molecular Weight: 282.46 Beilstein Registry Number: 1726543 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190842
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190842
• Canonical Smiles: 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+
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O
• WGK Germany: 1
• RTECS: JX6125000
• UN Number: 1206
• Molecular Weight: 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
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(Human)

TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

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FABP4 Tchem Fatty acid binding protein adipocyte (764 Activities)

Discover Target: FABP4

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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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Associated Targets(non-human)

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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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (<0.1 mg/ml at 25 °C), chloroform (50 mg/ml), DMSO (~100 mg/ml), DMF (~100 mg/ml), and ethanol.
• Sensitivity: heat sensitive, air sensitive
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 288 °C/100 mmHg
• Melt Point(°C): 42-44°C
• Molecular Weight: 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

References

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]