Pentadecanoic Acid - analytical standard , CAS No.1002-84-2

CAS: 1002-84-2 Cat. No.: P114397 Molecular Weight: 242.4 Beilstein Registry Number: 1773831 EC Number: 213-693-1
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
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
Storage
Room temperature
Shipped In
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Price
Qty
1g
P114397-1g
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Action Type
ACTIVATOR
Names and Identifiers
Canonical SmilesCCCCCCCCCCCCCCC(=O)O
IUPAC Namepentadecanoic acid
InChIKeyWQEPLUUGTLDZJY-UHFFFAOYSA-N
INCHI1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty acids and conjugates
Intermediate Tree Nodes Not available
Direct ParentLong-chain fatty acids
Alternative Parents Straight chain fatty acids  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDateItem
H2302918Certificate of AnalysisAug 07, 2023 P114397
Chemical and Physical Properties
Flash Point(°C)>113°C
Boil Point(°C)339 °C
Melt Point(°C)51-53°C
Molecular Weight242.400 g/mol
XLogP35.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass242.225 Da
Monoisotopic Mass242.225 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count17
Formal Charge0
Complexity166.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Qiong Wu, Jing Yu, Mingjin Zhang, Yinran Xiong, Lijia Zhu, Bo Wei, Ting Wu, Yiping Du.  (2023)  Serum lipidomic profiling for liver cancer screening using surface-assisted laser desorption ionization MS and machine learning.  TALANTA,      [PMID:37931569] [10.1016/j.talanta.2023.125371]
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,      [PMID:] [10.1016/j.apsusc.2022.154224]
3. Zhihao Zhu, Ying Sun, Haijun Yu, Meng Li, Xingming Jie, Guodong Kang, Yiming Cao.  (2022)  Effect of polytetrafluoroethylene hollow fiber microstructure on formaldehyde carbonylation performance in membrane contactor.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2022.05.012]
4. Yuting Huang, Rui Ma, Yongju Xu, Kai Zhong, Qian Bu, Hong Gao.  (2021)  A Comparison of Lipid Contents in Different Types of Peanut Cultivars Using UPLC-Q-TOF-MS-Based Lipidomic Study.  Foods,  11  (1): (4).  [PMID:35010129] [10.3390/foods11010004]
5. Chen Cao, Guilin Liu, Feng Xin, Qian Lei, Xiaofei Qin, Yachen Yin, Honglin Chen, Atta Ullah.  (2021)  Analyses and rates of reactions influenced by water in synthesis of polyoxymethylene dimethyl ethers from trioxane and methylal.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2021.117136]
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,      [PMID:] [10.1021/acs.iecr.0c02488]
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).  [PMID:] [10.1007/s41981-020-00103-8]
8. Xiaofei Qin, Sen Lei, Xubin Zhang, Chen Cao, Feng Xin, Honglin Chen, Xiaoming Zhang, Yachen Yin, Guilian Wu.  (2020)  Formation kinetics of polyoxymethylene dimethyl ethers from methylal and trioxane with little water.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2020.06.011]
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,      [PMID:] [10.1021/acs.iecr.5b04177]
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).  [PMID:39245923] [10.1111/1750-3841.17336]
11. Xuan Xia, YingMin Lu, GuanZhou Liu, Chao Liu, Qi Wang.  (2024)  Synthesis and characterization of fluorescent and thermochromic bifunctional composites: Polydiacetylene/zinc oxide quantum dots.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2024.113098]
12. Hongxu Zhou, Qing Jiang, Xin He, Xian Fu, Jun-Yan Liu.  (2024)  A complementary method with PFBBr-derivatization based on GC-EI-MS platform for the simultaneous quantitation of short-, medium- and long -chain fatty acids in murine plasma and feces samples.  Analytical Methods,      [PMID:38562090] [10.1039/D3AY02271D]
13. Nian Cao, Yubo Yang, Xiaoling Xiong, Bohan Zhang, Ping Xiang, Fan Yang.  (2026)  Dynamic sensory mapping: how sip volume shapes sensory perception and drinking comfort of Jiangxiangxing Baijiu.  INTERNATIONAL JOURNAL OF FOOD PROPERTIES,      [PMID:] [10.1080/10942912.2026.2618833]
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