Hexadecanedioic Acid - ≥97% , CAS No.505-54-4

CAS: 505-54-4 Cat. No.: H283696 Molecular Weight: 286.41 Beilstein Registry Number: 2733 EC Number: 208-013-5

Synonyms

HY-W018161 | RF8 | SCHEMBL36069 | Thapsate | AS-11659 | Hexadecane-1,16-dioic acid | HEXADECANEDIOICACID | Thapsic acid | FT-0601008 | C19615 | CHEBI:73722 | MEGxp0_000578 | SY047592 | LMFA01170022 | a,w-Tetradecanedicarboxylic acid | NSC 15164 | H0293 |

Storage

Room temperature

Shipped In

Normal

Overview

It is used in long chain polyamides, lubricants, pharmaceuticals, spices, etc.

Specifications

Synonyms

HY-W018161 | RF8 | SCHEMBL36069 | Thapsate | AS-11659 | Hexadecane-1, 16-dioic acid | HEXADECANEDIOICACID | Thapsic acid | FT-0601008 | C19615 | CHEBI:73722 | MEGxp0_000578 | SY047592 | LMFA01170022 | a, w-Tetradecanedicarboxylic acid | NSC 15164 | H0293 |

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C(CCCCCCCC(=O)O)CCCCCCC(=O)O
• IUPAC Name: hexadecanedioic acid
• InChIKey: QQHJDPROMQRDLA-UHFFFAOYSA-N
• INCHI: 1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
• Isomeric SMILES: C(CCCCCCCC(=O)O)CCCCCCC(=O)O
• WGK Germany: 3
• Molecular Weight: 286.41
• Beilstein: 2733
• Reaxy-Rn: 1792831
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1792831&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• 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: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Dicarboxylic 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: Dicarboxylic 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CRABP2 Tchem Cellular retinoic acid-binding protein II (10 Activities)

Discover Target: CRABP2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in hot Methanol almost transparency
• Melt Point(°C): 124°C-128°C
• Molecular Weight: 286.410 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 286.214 Da
• Monoisotopic Mass: 286.214 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 225.000
• 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. Liu Fang, Zou Lingyun, Chen Yongcheng, Liu Zuolong, Huang Yue, Jin Qiao, Ji Jian.  (2024)  A polymyxin B loaded hypoxia-responsive liposome with improved biosafety for efficient eradication of bacterial biofilms.  Nano Research,      [PMID:] [10.1007/s12274-024-6828-6]

2. Yaqiao Li, Lingxiao Li, Yanzhong Hao, Jingxuan Zhang, Cuiyun Liu, Erwei Zhao, XianBao Shi, Xiaohui Pu, Jin Sun, Zhonggui He, Bingjun Sun.  (2024)  Optimizing structural design in SN38 delivery: More assembly stability and activation efficiency.  Nano Today,      [PMID:] [10.1016/j.nantod.2024.102450]

3. Mengen Zhang, Ruijia Wang, Tinghao Jia, Congjing Ren, Jingdai Wang, Yongrong Yang, Yao Yang.  (2025)  Nanoscale Morphology in Disodium Salt-Anchored Polyethylene Ionomers.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.5c00167]

4. Mengru Ding, Lingling Ni, Ying Zheng, Bao Wang, Chengtao Yu, Guorong Shan, Yongzhong Bao, Junfeng Liu, Pengju Pan.  (2025)  Hexagonal and Orthorhombic Crystal Formations in Ethylene Glycol-Based Long-Spaced Aliphatic Polyesters Driven by Layer Packing of Proximate Ester Groups.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.4c02956]