Hexanoic anhydride - ≥98% , CAS No.2051-49-2

CAS: 2051-49-2 Cat. No.: H106337 Fórmula: C₁₂H₂₂O₃ Peso molecular: 214.3 Beilstein Registry Number: 1776561 Número CE: 218-121-4

GRADE & PURITY ≥98%

Synonyms

Caproic anhydride | RUF459I8KS | Ambuphylline (USAN) | MFCD00009509 | n-Hexanoic acid anhydride | EINECS 218-121-4 | Hexanoic acid, anhydride | Hexanoic anhydride | n-Hexanoic anhydride | Caproic acid anhydride | AS-18084 | Hexanoic anhydride, purum, >=97

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Caproic anhydride | RUF459I8KS | Ambuphylline (USAN) | MFCD00009509 | n-Hexanoic acid anhydride | EINECS 218-121-4 | Hexanoic acid, anhydride | Hexanoic anhydride | n-Hexanoic anhydride | Caproic acid anhydride | AS-18084 | Hexanoic anhydride, purum, >=97

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CCCCCC(=O)OC(=O)CCCCC
• IUPAC Name: hexanoyl hexanoate
• InChIKey: PKHMTIRCAFTBDS-UHFFFAOYSA-N
• INCHI: 1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3
• SMILES isoméricas: CCCCCC(=O)OC(=O)CCCCC
• WGK Alemanha: 3
• Número UN: 3265
• Grupo de embalagem: II
• Peso molecular: 214.3
• Beilstein: 1776561
• Reaxy-Rn: 1776561
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1776561&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture Sensitive
• Índice de refração: 1.427-1.429
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 130 °C
• Ponto de ebulição (°C): 246-248°C
• Ponto de fusão (°C): -40°C
• Peso molecular: 214.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 214.157 Da
• Monoisotopic Mass: 214.157 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 167.000
• 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

Referências

1. Zhang Yunfei, Wang Xilun, Luo Lu, Huang Yongchun, Li Kai, Li Jianbin.  (2022)  Enhancement effect of acylated cellulose nanocrystals on waterborne polyurethane.  JOURNAL OF POLYMER RESEARCH,  29  (8): (1-11).  [PMID:] [10.1007/s10965-022-02996-6]

2. Wei Li, Zhengqiao Zhang, Jie Wu, Zhenzhen Xu, Zhi Liu.  (2019)  Phosphorylation/caproylation of cornstarch to improve its adhesion to PLA and cotton fibers.  RSC Advances,  9  (60): (34880-34887).  [PMID:35530666] [10.1039/C9RA07384A]

3. Wei Li, Jie Wu, Xingui Cheng, Lanjuan Wu, Zhi Liu, Qingqing Ni, Yuhao Lu.  (2019)  Hydroxypropylsulfonation/Caproylation of Cornstarch to Enhance Its Adhesion to PLA Fibers for PLA Sizing.  Polymers,  11  (7): (1197).  [PMID:31319518] [10.3390/polym11071197]

4. Sheng Tang, Jian-De Liu, Wei Chen, Shao-Hua Huang, Juan Zhang, Zheng-Wu Bai.  (2017)  Performance comparison of chiral separation materials derived from N-cyclohexylcarbonyl and N-hexanoyl chitosans.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:29246422] [10.1016/j.chroma.2017.11.067]

5. Xiaoyi Cheng, Xiang-Fu Du, Jing Long, Yangyi Nie, Yuhan Du, Luyao Cheng, Cairong Li, Mei-Xia Zhao, Yuxiao Lai, Wei Zhang.  (2026)  Multifunctional cisplatin-loaded polydopamine/MnO2 nanomedicine circumvents drug resistant tumor microenvironment for enhanced chemo-photothermal therapy.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:41666770] [10.1016/j.colsurfb.2026.115505]