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Pentadecanoic Acid - 95%, high purity , CAS No.1002-84-2
Basic Description
Synonyms
Pentadecanoic acid, >=99% | 9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C | n-Pentadecanoicacid | P0035 | BRN 1773831 | C15:0 | H10804 | NCGC00258749-01 | UNII-CCW02D961F | BP-27916 | CHEBI:42504 | Pentadecylic acid | tetradecylcarboxylic acid | CCW02D961F | EINEC
Specifications & Purity
≥95%
Taxonomic Classification
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
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 - 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
Straight chain 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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488181909
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181909
IUPAC Name
pentadecanoic acid
INCHI
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKey
WQEPLUUGTLDZJY-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCCCC(=O)O
Isomeric SMILES
CCCCCCCCCCCCCCC(=O)O
WGK Germany
3
RTECS
RZ1925000
Molecular Weight
242.4
Beilstein
1773831
Reaxy-Rn
1773831
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773831&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
>113°C
Boil Point(°C)
51-53°C
Melt Point(°C)
339°C
Molecular Weight
242.400 g/mol
XLogP3
5.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
13
Exact Mass
242.225 Da
Monoisotopic Mass
242.225 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
166.000
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
Citations of This Product
1.
Qiong Wu, Jing Yu, Mingjin Zhang, Yinran Xiong, Lijia Zhu, Bo Wei, Ting Wu, Yiping Du.
(2024)
Serum lipidomic profiling for liver cancer screening using surface-assisted laser desorption ionization MS and machine learning. TALANTA,
268
(125371).
2.
Shuiping Tang, Xiaohuan Qin, Yuanxia Lv, Kun Hu, Shulin Zhao.
(2022)
Adsorption of three perfluoroalkyl sulfonate compounds from environmental water and human serum samples using cationic porous covalent organic framework as adsorbents and detection combination with MALDI-TOF MS. APPLIED SURFACE SCIENCE,
601
(154224).
3.
Zhihao Zhu, Ying Sun, Haijun Yu, Meng Li, Xingming Jie, Guodong Kang, Yiming Cao.
(2023)
Effect of polytetrafluoroethylene hollow fiber microstructure on formaldehyde carbonylation performance in membrane contactor. CHINESE JOURNAL OF CHEMICAL ENGINEERING,
55
(148).
4.
Yuting Huang, Rui Ma, Yongju Xu, Kai Zhong, Qian Bu, Hong Gao.
(2022)
A Comparison of Lipid Contents in Different Types of Peanut Cultivars Using UPLC-Q-TOF-MS-Based Lipidomic Study. Foods,
11
(1):
(4).
5.
Chen Cao, Guilin Liu, Feng Xin, Qian Lei, Xiaofei Qin, Yachen Yin, Honglin Chen, Atta Ullah.
(2022)
Analyses and rates of reactions influenced by water in synthesis of polyoxymethylene dimethyl ethers from trioxane and methylal. CHEMICAL ENGINEERING SCIENCE,
248
(117136).
6.
Chaofeng Zhang, Yaozong Yang, Linfeng Li, Jiandong Zhang, Shuangping Huang, Ruifeng Li.
(2020)
Ionic Liquid Encapsulated in MIL-100(Fe): A Green Catalyst for Synthesis of Polyoxymethylene Dimethyl Ethers from Methanol and Trioxane. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,
59
(39):
(17094–17102).
7.
Zhu Zhihao, Kang Guodong, Yu Sha, Qin Yitian, Sun Ying, Cao Yiming.
(2020)
Process intensification in carbonylation of formaldehyde with active and passive enhancement methods. Journal of Flow Chemistry,
10
(4):
(605-613).
8.
Xiaofei Qin, Sen Lei, Xubin Zhang, Chen Cao, Feng Xin, Honglin Chen, Xiaoming Zhang, Yachen Yin, Guilian Wu.
(2021)
Formation kinetics of polyoxymethylene dimethyl ethers from methylal and trioxane with little water. CHINESE JOURNAL OF CHEMICAL ENGINEERING,
33
(139).
9.
Yajuan Wu, Zhen Li, Chungu Xia.
(2016)
Silica-Gel-Supported Dual Acidic Ionic Liquids as Efficient Catalysts for the Synthesis of Polyoxymethylene Dimethyl Ethers. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,
55
(7):
(1859–1865).
10.
Yuanyuan Huang, Benjamin Kumah Mintah, Mokhtar Dabbour, Shuixin Liu, Tao Guo, Haining Xu, Chunhua Dai, Xiumin Chen, Haile Ma, Ronghai He.
(2024)
Comparative analysis of the nutritional composition and volatile compounds in male and female adults, nymphs, and molts of Eupolyphaga sinensis Walker. JOURNAL OF FOOD SCIENCE,
89
(10):
(6378-6393).
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10 Citations
C2408582