Tridecanedioic Acid - ≥96% , CAS No.505-52-2

CAS: 505-52-2 Cat. No.: T161927 Formule: C₁₃H₂₄O₄ Poids moléculaire: 244.33 Beilstein Registry Number: 2731 Numéro CE: 208-011-4 PubChem CID: 10458

GRADE & PURITY ≥96%

Synonyms

AS-14882 | Brassilate | CHEBI:73718 | .ALPHA.,.OMEGA.-TRIDECANEDIOIC ACID | NCGC00258853-01 | Tox21_302982 | Undecane-1,11-dicarboxylic acid | Brassilic acid | HY-128421 | SCHEMBL20802 | tridecanedioate | Q2099072 | CAS-505-52-2 | TRIDECANEDIOIC ACID | MF

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AS-14882 | Brassilate | CHEBI:73718 | .ALPHA.,.OMEGA.-TRIDECANEDIOIC ACID | NCGC00258853-01 | Tox21_302982 | Undecane-1,11-dicarboxylic acid | Brassilic acid | HY-128421 | SCHEMBL20802 | tridecanedioate | Q2099072 | CAS-505-52-2 | TRIDECANEDIOIC ACID | MF

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Pubchem Sid: 488181138
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181138
• Sourires canoniques: C(CCCCCC(=O)O)CCCCCC(=O)O
• IUPAC Name: tridecanedioic acid
• InChIKey: DXNCZXXFRKPEPY-UHFFFAOYSA-N
• INCHI: 1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
• Isomères SMILES: C(CCCCCC(=O)O)CCCCCC(=O)O
• WGK Allemagne: 3
• PubChem CID: 10458
• Poids moléculaire: 244.33
• Beilstein: 2731
• Reaxy-Rn: 1786404

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Point de fusion (°C): 113 °C
• Poids moléculaire: 244.330 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 244.167 Da
• Monoisotopic Mass: 244.167 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 191.000
• 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

Références

1. Yanzhi Xing, Jiaxin Li, Han Leng, Yanfeng Zhang, Shuang E, Jianhua Wang, Xuwei Chen.  (2024)  From cell membrane to endoplasmic reticulum: Tunable lipid membrane imaging by regulating the lipophilicity and internalization of carbon dots.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152068]

2. SunHongzheng , HanLongsen , GuoYueshuai , AnHuiqing , WangBing , ZhangXiangzheng , LiJiashuo , JiangYingtong , WangYue , SunGuangyi , ZhuShuai , TangShoubin , GeJuan , ChenMinjian , GuoXuejiang , WangQiang.  (2024)  The global phosphorylation landscape of mouse oocytes during meiotic maturation.  EMBO JOURNAL,      [PMID:39256562] [10.1038/s44318-024-00222-1]

3. 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]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 505-52-2, the molecular formula is C13H24O4, and the molecular weight is 244.33 g/mol. InChIKey DXNCZXXFRKPEPY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.