Methyl nonadecanoate - ≥98% , CAS No.1731-94-8

CAS: 1731-94-8 Cat. No.: M102327 분자식: C₂₀H₄₀O₂ 분자량: 312.53 Beilstein Registry Number: 1788184 EC 번호: 217-056-9

GRADE & PURITY ≥98%

Synonyms

EINECS 217-056-9 | DTXSID40169524 | N0460 | A25CCD7A-EA11-4124-B88C-A168A5582F47 | BAA73194 | Methyl nonadecanoate, puriss., >=98.5% (GC) | Nonadecanoic acid methyl ester | MFCD00009011 | 67FQ8VV2L3 | s5833 | SCHEMBL109331 | UNII-67FQ8VV2L3 | CHEBI:87758

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

EINECS 217-056-9 | DTXSID40169524 | N0460 | A25CCD7A-EA11-4124-B88C-A168A5582F47 | BAA73194 | Methyl nonadecanoate, puriss., >=98.5% (GC) | Nonadecanoic acid methyl ester | MFCD00009011 | 67FQ8VV2L3 | s5833 | SCHEMBL109331 | UNII-67FQ8VV2L3 | CHEBI:87758

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Long chain fatty acid methyl ester. Possible antitumor and anticlastogenic agent. See similar products

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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참고

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.

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488182150
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182150
• 정식 스마일: CCCCCCCCCCCCCCCCCCC(=O)OC
• IUPAC Name: methyl nonadecanoate
• InChIKey: BDXAHSJUDUZLDU-UHFFFAOYSA-N
• INCHI: 1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
• 이성체 SMILES: CCCCCCCCCCCCCCCCCCC(=O)OC
• WGK 독일: 3
• 분자량: 312.53
• Beilstein: 1788184
• Reaxy-Rn: 1788184
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788184&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 동결점(°C): 39 °C
• 발화점(°F): >235.4 °F
• 발화점(°C): 113℃
• 녹는점(°C): 37-40°C
• 분자량: 312.500 g/mol
• XLogP3: 9.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 312.303 Da
• Monoisotopic Mass: 312.303 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 226.000
• 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

참고 문헌

1. Zhang Lei, Shen Hong, Zhang Jiyou, Mao Shengyong.  (2023)  Variety of rumen microbial populations involved in biohydrogenation related to individual milk fat percentage of dairy cows.  Frontiers in Veterinary Science,      [PMID:36937014] [10.3389/fvets.2023.1106834]

2. Xiang Wang, Si-Fen Liu, Zhen-Yao Wang, Ting-Bin Hao, Srinivasan Balamurugan, Da-Wei Li, Yuhe He, Hong-Ye Li, Carol Sze Ki Lin.  (2021)  A waste upcycling loop: Two-factor adaptive evolution of microalgae to increase polyunsaturated fatty acid production using food waste.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2021.130018]

3. Ren Hongyan, Xiao Wei, Qin Xingliang, Cai Gangzhi, Chen Hao, Hua Zaidong, Cheng Cheng, Li Xinglei, Hua Wenjun, Xiao Hongwei, Zhang Liping, Dai Jiali, Zheng Xinmin, Zhu Zhe, Qian Chong, Yao Jie, Bi Yanzhen.  (2020)  Myostatin regulates fatty acid desaturation and fat deposition through MEF2C/miR222/SCD5 cascade in pigs.  Communications Biology,  3  (1): (1-15).  [PMID:33097765] [10.1038/s42003-020-01348-8]

4. Cao Weijia, Ma Weichao, Zhang Bowen, Wang Xin, Chen Kequan, Li Yan, Ouyang Pingkai.  (2016)  Improved pinocembrin production in Escherichia coli by engineering fatty acid synthesis.  JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY,  43  (4): (557-566).  [PMID:26733394] [10.1007/s10295-015-1725-3]

5. Zhuoya Zhang, Zhaoguo Tong, Yuanyuan Shao, Guangcan Su, Kaikai Li, Chunmei Li.  (2024)  Comparing and Evaluating the Oil Composition of Olive Oil of 85 Olive Varieties in the Liangshan Region, China.  Agronomy-Basel,  14  (2): (304).  [PMID:] [10.3390/agronomy14020304]

6. Ting-Bin Hao, Peng-Yu Lai, Zhan Shu, Ran Liang, Zhi-Yun Chen, Ren-Long Huang, Yang Lu, Adili Alimujiang.  (2025)  Physiological and metabolic fluctuations of the diatom Phaeodactylum tricornutum under water scarcity.  Frontiers in Microbiology,      [PMID:40177482] [10.3389/fmicb.2025.1555989]

7. Huang Zhi, Ma Keyu, Yin Xiaochen, Li Ziming, Chen Ming, Duan Yujie, Li Li, Hu Yuming.  (2024)  The associations of fatty acids related dietary patterns with overweight and obesity among Chinese children.  JOURNAL OF HEALTH POPULATION AND NUTRITION,  43  (1): (1-9).  [PMID:38654346] [10.1186/s41043-024-00549-9]

8. Jingru Chen, Nian Liu, Hongzhou Zheng, Linshan Jia, Xiaohong Hou, Jianhua Qu, Xiaoli Huang, Qi Hu.  (2025)  Co-catalysis of modified metal-organic framework immobilized enzyme with nonionic surfactant for biodiesel preparation.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40857909] [10.1016/j.jcis.2025.138803]

9. Jiawang Wang, Baohua Kong, Ziyi Zhang, Xin Liu, Xiang-ao Li, Xinran Guo, Qian Chen.  (2025)  The physicochemical characteristics and intracellular metabolic profile changes of Lactiplantibacillus plantarum SC-MDJ in a low-temperature environment.  FOOD CHEMISTRY,      [PMID:41478091] [10.1016/j.foodchem.2025.147784]