Dibutyl sebacate - 10mM in DMSO , CAS No.109-43-3

CAS: 109-43-3 Cat. No.: D420567 Molecular Weight: 314.46 Beilstein Registry Number: 1798308 EC Number: 203-672-5

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

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

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
• WGK Germany: 1
• RTECS: VS1150000
• Molecular Weight: 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
    • Class Fatty Acyls
      • Subclass Fatty acid esters

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

Associated Targets(non-human)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.441
• Flash Point(°F): 352.4 °F
• Flash Point(°C): 176℃
• Boil Point(°C): 178-179°C
• Melt Point(°C): -10°C
• Molecular Weight: 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

References

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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]

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