Dibutyl sebacate(DBS) - ≥98% , CAS No.109-43-3

CAS: 109-43-3 Cat. No.: D108607 分子式: C₁₈H₃₄O₄ 分子量: 314.46 Beilstein Registry Number: 1798308 EC番号: 203-672-5

GRADE & PURITY ≥98%

Synonyms

1,10-dibutyl decanedioate | AI3-00393 | DIBUTYL SEBACATE | Dibutyl sebacate (NF) | DIBUTYL SEBACATE [II] | BS-14305 | CCRIS 8264 | Dibutyl sebacate, analytical standard | FT-0624681 | NCGC00254088-01 | Q411272 | DTXSID1041847 | PX-404 | Uniflex DBS | Deca

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

1,10-dibutyl decanedioate | AI3-00393 | DIBUTYL SEBACATE | Dibutyl sebacate (NF) | DIBUTYL SEBACATE [II] | BS-14305 | CCRIS 8264 | Dibutyl sebacate, analytical standard | FT-0624681 | NCGC00254088-01 | Q411272 | DTXSID1041847 | PX-404 | Uniflex DBS | Deca

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 504751534
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504751534
• カノニカル・スマイル: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
• IUPAC Name: dibutyl decanedioate
• InChIKey: PYGXAGIECVVIOZ-UHFFFAOYSA-N
• INCHI: 1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
• 異性体SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
• WGKドイツ: 1
• RTECS: VS1150000
• 分子量: 314.46
• Beilstein: 1798308
• Reaxy-Rn: 1798308
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1798308&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

関連ターゲット（非人間）

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water, soluble in most organic solvents such as ethanol and acetone.
• 感度: Moisture sensitive
• 屈折率: 1.441
• 引火点（°F）: 352.4 °F
• 引火点（°C）: 176℃
• 沸点（°C）: 178-179°C
• 融点（°C）: -10°C
• 分子量: 314.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 314.246 Da
• Monoisotopic Mass: 314.246 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 248.000
• 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

参考文献

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2. Xinyu Ma, Aiqi Wang, Jinlei Miao, Tingting Fan.  (2023)  2D lamellar membrane with MXene hetero-intercalated small sized graphene oxide for harsh environmental wastewater treatment.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.123248]

3. Na Han, Chao Yang, Zongxuan Zhang, Weijing Wang, Wenxin Zhang, Changye Han, Zhenyu Cui, Wei Li, Xingxiang Zhang.  (2019)  Electrostatic Assembly of a Titanium Dioxide@Hydrophilic Poly(phenylene sulfide) Porous Membrane with Enhanced Wetting Selectivity for Separation of Strongly Corrosive Oil–Water Emulsions.  ACS Applied Materials & Interfaces,      [PMID:31466446] [10.1021/acsami.9b12252]

4. Chao Yang, Na Han, Changye Han, Menglu Wang, Wenxin Zhang, Weijing Wang, Zongxuan Zhang, Wei Li, Xingxiang Zhang.  (2019)  Design of a Janus F-TiO2@PPS Porous Membrane with Asymmetric Wettability for Switchable Oil/Water Separation.  ACS Applied Materials & Interfaces,      [PMID:31149793] [10.1021/acsami.9b05191]

5. Luyao Gao, Kunmei Su, Tingting Fan, Zhenhuan Li.  (2019)  Study on the structure and properties of PPS/PCNF hybrid membranes and their applications in wastewater treatment.  POLYMER,      [PMID:] [10.1016/j.polymer.2019.05.021]

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7. Yan Yang, Lian Shen, Juan Li, Wei-guang Shan.  (2017)  Preparation and evaluation of metoprolol tartrate sustained-release pellets using hot melt extrusion combined with hot melt coating.  DRUG DEVELOPMENT AND INDUSTRIAL PHARMACY,      [PMID:28128647] [10.1080/03639045.2017.1287715]

8. Shiwei Tian, Yaqi Zhang, Qiankun Sha, Yixuan Wang, Xingxiang Zhang, Xuhuan Yan, Na Han.  (2025)  PPS/TA-PEI/CaAlg/ZIF-8 composite membranes with under-liquid dual superlyophobicity for on-demand separation of oil-water emulsions.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.123897]

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