Methyl decanoate - ≥99% , CAS No.110-42-9

CAS: 110-42-9 Cat. No.: M118488 Molecular Weight: 186.29 Beilstein Registry Number: 1759170 EC Number: 203-766-6

GRADE & PURITY ≥99%

Synonyms

BS-14441 | Methyl n-caprate | Methyl caprinate | METHYL DECANOATE | Methyl decanoate, 99% | Q22808395 | BRN 1759170 | Metholene 2095 | MFCD00009580 | NCGC00259306-01 | Methyl caprate | AI3-26168 | DTXSID4026842 | NCGC00256929-01 | METHYL CAPRATE [USP-RS]

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BS-14441 | Methyl n-caprate | Methyl caprinate | METHYL DECANOATE | Methyl decanoate, 99% | Q22808395 | BRN 1759170 | Metholene 2095 | MFCD00009580 | NCGC00259306-01 | Methyl caprate | AI3-26168 | DTXSID4026842 | NCGC00256929-01 | METHYL CAPRATE [USP-RS]

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCC(=O)OC
• IUPAC Name: methyl decanoate
• InChIKey: YRHYCMZPEVDGFQ-UHFFFAOYSA-N
• INCHI: 1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
• Isomeric SMILES: CCCCCCCCCC(=O)OC
• WGK Germany: 1
• RTECS: HD9830000
• Molecular Weight: 186.29
• Beilstein: 1759170
• Reaxy-Rn: 1759170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759170&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl 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
• Description: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: Wax monoesters

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(non-human)

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.425
• Flash Point(°F): 230 °F
• Flash Point(°C): 90 °C
• Boil Point(°C): 108 °C/10 mmHg
• Melt Point(°C): -14--11°C
• Molecular Weight: 186.290 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 186.162 Da
• Monoisotopic Mass: 186.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Hongxu Lu, Yanxia Liu, Wenyue Shen, Yang Zhou, Xiangwei Ma, Shibo Sun, Xiaoying Dong, Fengyun Ji, Huiyan Tong, Jianqiang Xu, Gaohong He, Weiping Xu.  (2023)  Yeast enrichment facilitated lipid removal and bioconversion by black soldier fly larvae in the food waste treatment.  WASTE MANAGEMENT,      [PMID:37172516] [10.1016/j.wasman.2023.04.003]

2. Lin Fu, Zhaoxin Liu, Xin Li, Yongfei Li, Houyi Yang, Yuejin Liu.  (2022)  Boosting bio-lipids deoxygenation via tunable metal-support interaction in nickel/ceria-based catalysts.  FUEL,      [PMID:] [10.1016/j.fuel.2022.124027]

3. Ruijuan Duan, Meiling Qi.  (2022)  Separation performance of pentiptycene-functionalized triblock copolymers towards the isomers of xylenes, phenols and anilines and the complex components in essential oil.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35278809] [10.1016/j.chroma.2022.462927]

4. Kun Hou, Ziwen Zhang, Sa Xue, Xiangyang Liu, Maogang He.  (2022)  Isobaric Molar Heat Capacities of Binary Mixtures of Diethyl Carbonate and Methyl Caprate at High Pressures.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.1c00972]

5. Xiong Zheng, Dan Qu, Yanqiong Bao, Guangzhao Qin, Yu Liu, Qinlan Luo.  (2021)  Experimental Studies of Thermal Conductivity of Three Biodiesel Compounds: Methyl Pentanoate, Methyl Octanoate, and Methyl Decanoate.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.1c00702]

6. Jing Fan, Shuangshuo Liu, Qinglong Meng, Fenhong Song.  (2020)  Liquid thermal conductivity of three biodiesel compounds: Methyl myristate, methyl laurate and methyl caprate.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2020.106374]

7. Jing Fan, Qinglong Meng, Fenhong Song.  (2020)  Liquid thermal conductivity of binary mixtures containing a diesel compound n-dodecane + biodiesel compounds: methyl caprate and ethyl caprate.  THERMOCHIMICA ACTA,      [PMID:] [10.1016/j.tca.2020.178761]

8. Guanjia Zhao, Xiaona Liu, Zemin Yuan, Jianguo Yin, Suxia Ma.  (2019)  Liquid surface tension, kinematic viscosity, density and refractive index of the binary mixtures of n-hexadecane with methyl butyrate and methyl decanoate close to saturation conditions.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2019.112448]

9. Guanjia Zhao, Zemin Yuan, Jianguo Yin, Suxia Ma.  (2019)  Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.9b00643]

10. Xue Xiong, Meiling Qi.  (2019)  Adenine-functionalized polypropylene glycol: A novel stationary phase for gas chromatography offering good inertness for acids and bases combined with a unique selectivity.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31668867] [10.1016/j.chroma.2019.460627]

11. Jianghua Zhang, Shasha Yang, Weijie Cai, Fawen Yin, Jin Jia, Dayong Zhou, Beiwei Zhu.  (2019)  Efficient Production of Medium-Chain Structured Phospholipids over Mesoporous Organosulfonic Acid-Functionalized SBA-15 Catalysts.  Catalysts,  9  (9): (770).  [PMID:] [10.3390/catal9090770]

12. Ziwei Guo, Feng Zhou, Hao Wang, Xiaohao Liu, Guangyue Xu, Ying Zhang, Yao Fu.  (2019)  Highly selective conversion of natural oil to alcohols or alkanes over a Pd stabilized CuZnAl catalyst under mild conditions.  GREEN CHEMISTRY,  21  (18): (5046-5052).  [PMID:] [10.1039/C9GC02379H]

13. Jing Fan, Bin Cui, Fenhong Song, Shuangshuo Liu, Xiaopo Wang.  (2019)  Measurement of the thermal conductivity of biofuel mixtures: Methyl caprate components of biodiesel and alcohols.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2019.112263]

14. Dan Li, Meng Guo, Xia Wang, Shutong Lin, Wei Jia, Guangyi Wang.  (2019)  Measurement and correlation of density and viscosity of binary mixtures of fatty acid (methyl esters + methylcyclohexane).  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2019.05.021]

15. Chao Su, Chenyang Zhu, Tianwang Lai, Tao Wang, Xiangyang Liu, Maogang He.  (2018)  Temperature and pressure dependence of densities and viscosities for binary mixtures of methyl decanoate plus n-heptane.  THERMOCHIMICA ACTA,      [PMID:] [10.1016/j.tca.2018.10.018]

16. Zhao Jiangbin, Agaba Aphra, Sui Xiaofeng, Mao Zhiping, Xu Hong, Zhong Yi, Zhang Linping, Wang Bijia.  (2018)  A heterogeneous binary solvent system for recyclable reactive dyeing of cotton fabrics.  CELLULOSE,  25  (12): (7381-7392).  [PMID:] [10.1007/s10570-018-2069-8]

17. Jing Fan, Zixuan Zhu, Xiaopo Wang, Fenhong Song, Lihui Zhang.  (2018)  Experimental studies on the liquid thermal conductivity of three saturated fatty acid methyl esters components of biodiesel.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2018.06.005]

18. Xiaopo Wang, Dongbo Wang, Hanxiao Lang.  (2018)  Densities of FAMEs or FAEEs with ethanol at temperatures from 283.15 to 318.15 K.  PHYSICS AND CHEMISTRY OF LIQUIDS,      [PMID:] [10.1080/00319104.2017.1286340]

19. Xiangyang Liu, Chenyang Zhu, Chao Su, Maogang He, Wei Dong, Tansu Shang, Weiping Yang.  (2017)  Isobaric molar heat capacities of binary mixtures containing methyl caprate and methyl laurate at pressures up to 16.2 MPa.  THERMOCHIMICA ACTA,      [PMID:] [10.1016/j.tca.2017.02.015]

20. Xiaojie Wang, Xiaopo Wang, Jianlin Chen.  (2015)  Experimental investigations of density and dynamic viscosity of n-hexadecane with three fatty acid methyl esters.  FUEL,      [PMID:] [10.1016/j.fuel.2015.11.008]

21. Junye Zhu, Yuebin Zhou, Haitao Wen.  (2025)  Analysis of Differences in Volatile Components of Rucheng Baimao (Camellia pubescens) Black Tea in Different Seasons.  Foods,  14  (5): (763).  [PMID:40077466] [10.3390/foods14050763]

22. Jin Guofan, Shi Jianrong, Wang Xiaopo.  (2025)  Densities and Viscosities of Polyoxymethylene Dimethyl Ether with Methyl Decanoate, Methyl Dodecanoate, and Methyl Tetradecanoate.  INTERNATIONAL JOURNAL OF THERMOPHYSICS,  46  (3): (1-20).  [PMID:] [10.1007/s10765-025-03506-8]

23. Qing Zou, Zhenhui Chen, Siwen Ding, Jimin Xu, Maogang He, Xiangyang Liu.  (2024)  Thermal Conductivity of the Binary Mixtures of N-Heptane and Fatty Acid Esters: Measurement and Correlation.  Energies,  17  (23): (5811).  [PMID:] [10.3390/en17235811]

24. Xue Xiong, Meiling Qi.  (2020)  A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness.  NEW JOURNAL OF CHEMISTRY,  44  (25): (10621-10627).  [PMID:] [10.1039/D0NJ02185G]

25. Xue Xiong, Meiling Qi.  (2018)  Hexagonal boron nitride stationary phase for gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30100014] [10.1016/j.chroma.2018.07.008]

26. Zongsheng Chen, Yanxi Ma, Hui Kang, Ting Liu, Hao Song, Ludan Chen, Yingluo He.  (2026)  N-coordination tuned Niδ+ sites in Ni@C/g-C₃N₄ catalyst enables efficient hydrogenolysis of lignite under mild conditions.  INORGANIC CHEMISTRY COMMUNICATIONS,      [PMID:] [10.1016/j.inoche.2026.116532]