Methyl Pentadecanoate - analytical standard , CAS No.7132-64-1

CAS: 7132-64-1 Cat. No.: M114398 Molecular Weight: 256.42 Beilstein Registry Number: 1776383 EC Number: 230-430-6

GRADE & PURITY Analytical standard

Synonyms

Pentadecanoic acid, methyl ester | pentadecanoic acid-methyl ester | FT-0636359 | UNII-8K0ZV6FAIZ | AKOS002676182 | CHEBI:142657 | MFCD00008989 | XIUXKAZJZFLLDQ-UHFFFAOYSA-N | METHYL PENTADECANOATE | NCGC00164331-01 | HY-W004289 | n-Pentadecanoic acid met

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Methyl pentadecanoate is the methyl ester of the 15-carbon fatty acid pentadecanoic acid. Methyl pentadecanoate is a naturally occurring fatty acid derivative that has been identified in ethanolic extracts of Azadirachta indica A. Juss. fruit coatings and in Amycolatopsis sulphurea samples.
A lipid used for research purposes.

Specifications

Synonyms

Pentadecanoic acid, methyl ester | pentadecanoic acid-methyl ester | FT-0636359 | UNII-8K0ZV6FAIZ | AKOS002676182 | CHEBI:142657 | MFCD00008989 | XIUXKAZJZFLLDQ-UHFFFAOYSA-N | METHYL PENTADECANOATE | NCGC00164331-01 | HY-W004289 | n-Pentadecanoic acid met

Specifications & Purity

analytical standard

Storage

Room temperature, Argon charged

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCC(=O)OC
• IUPAC Name: methyl pentadecanoate
• InChIKey: XIUXKAZJZFLLDQ-UHFFFAOYSA-N
• INCHI: 1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCC(=O)OC
• WGK Germany: 3
• Molecular Weight: 256.42
• Beilstein: 1776383
• Reaxy-Rn: 1776383
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1776383&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: Not available

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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (Partly miscible).
• Sensitivity: moisture sensitive
• Freezing Point(°C): 16 °C
• Refractive Index: 1.438
• Flash Point(°F): 60.8℉
• Flash Point(°C): 16℃
• Boil Point(°C): 141-142°C
• Melt Point(°C): 18-19°C
• Molecular Weight: 256.420 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 256.24 Da
• Monoisotopic Mass: 256.24 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 178.000
• 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. Yunping Yao, Tianliang Wang, Zhiyuan Qiang, Wenqi Du, Changmo Li.  (2023)  Mechanisms of the Formation of Nonvolatile and Volatile Oxidation Products from Methyl Linoleic Acid at High Temperatures.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:38131267] [10.1021/acs.jafc.3c04405]

2. Ange Douglas Potchamyou Ngatcha, Anqi Zhao, Shen Zhang, Wenlong Xiong, Moinuddin Sarker, Jingliang Xu, Md. Asraful Alam.  (2023)  Determination of active sites on the synthesis of novel Lewis acidic deep eutectic solvent catalysts and kinetic studies in microalgal biodiesel production.  RSC Advances,  13  (15): (10110-10122).  [PMID:37006371] [10.1039/D3RA00543G]

3. Ngatcha Ange Douglas Potchamyou, Muhammad Gul, Lv Yongkun, Xiong Wenlong, Zhao Anqi, Xu Jingliang, Alam Md.Asraful.  (2022)  Microalgae biomass pre-treatment with deep eutectic solvent to optimize lipid isolation in biodiesel production.  Biomass Conversion and Biorefinery,  12  (1): (133-143).  [PMID:] [10.1007/s13399-021-02236-9]

4. Gul Muhammad, Ange Douglas Potchamyou Ngatcha, Yongkun Lv, Wenlong Xiong, Yaser A. El-Badry, Eylem Asmatulu, Jingliang Xu, Md Asraful Alam.  (2021)  Enhanced biodiesel production from wet microalgae biomass optimized via response surface methodology and artificial neural network.  RENEWABLE ENERGY,      [PMID:] [10.1016/j.renene.2021.11.091]

5. Jinghan Cui, Wenjie Yu, Qifang Sun, Qiuning Wang, Jinwang Li, Xiali Guo, Yanling Song, Yan Li, Liping Luo.  (2025)  Response of quality differences of winter wheat from different origins to meteorological factors based on metabolomics.  FOOD CHEMISTRY,      [PMID:41391413] [10.1016/j.foodchem.2025.147539]

6. Yiting Duan, Weidong Su, Xinru Deng, Chongyang Liu, Qi Li, Yuan Gao, Xiuzhu Yu.  (2026)  Dual H–O isotope tracing of oxidized triacylglycerols in triolein (180°C): mechanisms and control-oriented monitoring indicators.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2026.111972]