Methyl palmitoleate - ≥98% , CAS No.1120-25-8

CAS: 1120-25-8 Cat. No.: M137781 Molecular Weight: 268.43 Beilstein Registry Number: 1726110 EC Number: 214-303-2

GRADE & PURITY ≥98%

Synonyms

methyl (9Z)-hexadec-9-enoate | 9-hexadecenoic acid, methyl ester, (9Z)- | Palmitoleic acid-methyl ester | 9-Hexadecenoic acid, methyl ester, (Z)- | DTXSID00897351 | AC-33776 | METHYL PALMITOLEATE | J-002692 | Methyl palmitoleate, analytical standard | EIN

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

methyl (9Z)-hexadec-9-enoate | 9-hexadecenoic acid, methyl ester, (9Z)- | Palmitoleic acid-methyl ester | 9-Hexadecenoic acid, methyl ester, (Z)- | DTXSID00897351 | AC-33776 | METHYL PALMITOLEATE | J-002692 | Methyl palmitoleate, analytical standard | EIN

Specifications & Purity

≥98%

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCC=CCCCCCCCC(=O)OC
• IUPAC Name: methyl (Z)-hexadec-9-enoate
• InChIKey: IZFGRAGOVZCUFB-HJWRWDBZSA-N
• INCHI: 1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
• Isomeric SMILES: CCCCCC/C=C\CCCCCCCC(=O)OC
• WGK Germany: 1
• Molecular Weight: 268.43
• Beilstein: 1726110
• Reaxy-Rn: 9565700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9565700&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

Chemical and Physical Properties

• Sensitivity: heat,light and air sensitive
• Refractive Index: 1.451
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 180-183 °C/1 mmHg
• Melt Point(°C): -0.5-0.5°C
• Molecular Weight: 268.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 268.24 Da
• Monoisotopic Mass: 268.24 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 221.000
• 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. Yi-Tong Wang, Xiao-Man Wang, Di Gao, Fu-Ping Wang, Ya-Nan Zeng, Jun-Guo Li, Li-Qun Jiang, Qing Yu, Rui Ji, Le-Le Kang, Ya-Jun Wang, Zhen Fang.  (2022)  Efficient production of biodiesel at low temperature using highly active bifunctional Na-Fe-Ca nanocatalyst from blast furnace waste.  FUEL,      [PMID:] [10.1016/j.fuel.2022.124168]

2. Xiao-Man Wang, Ya-Nan Zeng, Li-Qun Jiang, Yi-Tong Wang, Jun-Guo Li, Le-Le Kang, Rui Ji, Di Gao, Fu-Ping Wang, Qing Yu, Ya-Jun Wang, Ai-Min Ji, Zhen Fang.  (2022)  Highly stable NaFeO2-Fe3O4 composite catalyst from blast furnace dust for efficient production of biodiesel at low temperature.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2022.114937]

3. Yi-Tong Wang, Di Gao, Jie Yang, Ya-Nan Zeng, Jun-Guo Li, Ya-Jun Wang, Xiao-Man Wang, Fu-Ping Wang, Qing Yu, Tian-Ji Liu, Shuang Cai, Zhen Fang.  (2021)  Highly stable heterogeneous catalysts from electric furnace dust for biodiesel production: Optimization, performance and reaction kinetics.  CATALYSIS TODAY,      [PMID:] [10.1016/j.cattod.2021.12.013]

4. Yi-Tong Wang, Di Gao, Ya-Nan Zeng, Jun-Guo Li, Ai-Min Ji, Tian-Ji Liu, Shuang Cai, Wen-Jie Cong, Fu-Ping Wang, Qing Yu, Xiao-Man Wang, Zhen Fang.  (2021)  Efficient production of biodiesel with electric furnace dust impregnated in Na2CO3 solution.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2021.129772]

5. Siyu Pan, Jun Yan, Xu Peng, Zhou Xu, Qi Zeng, Zhonghui Wang, Minzhong Zhao, Yi Chen.  (2023)  Y-Shaping All Components in Waste Cooking Oil-Derived Epoxidized Fatty Acid Methyl Esters toward a Leaching-Resistant Bioplasticizer.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.2c06142]

6. Ahmed M. Senan, Sicheng Zhang, Miao Zeng, Zhuqi Chen, Guochuan Yin.  (2017)  Transformation of Unsaturated Fatty Acids/Esters to Corresponding Keto Fatty Acids/Esters by Aerobic Oxidation with Pd(II)/Lewis Acid Catalyst.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:28719749] [10.1021/acs.jafc.7b02017]