Dibutylsuccinate - ≥98% , CAS No.141-03-7

CAS: 141-03-7 Cat. No.: D190847 Fórmula: C₁₂H₂₂O₄ Peso molecular: 230.3 Número CE: 205-449-8

GRAU & PUREZA ≥98%

Synonyms

AS-62500 | DIBUTYL SUCCINATE | DIBUTYL SUCCINATE [MI] | BRN 1786221 | Di-n-butylester kyseliny jantarove [Czech] | Succinic acid di-n-butyl ester | J-007451 | Q050512U41 | UNII-Q050512U41 | HSDB 1563 | Tox21_301514 | MFCD00040495 | Butanedioic acid dibuty

Storage

Room temperature

Shipped In

Normal

Visão geral

Dibutyl succinate is an insect repellent, which is approved for use on farm animals and livestock.

Especificações

Sinónimos

AS-62500 | DIBUTYL SUCCINATE | DIBUTYL SUCCINATE [MI] | BRN 1786221 | Di-n-butylester kyseliny jantarove [Czech] | Succinic acid di-n-butyl ester | J-007451 | Q050512U41 | UNII-Q050512U41 | HSDB 1563 | Tox21_301514 | MFCD00040495 | Butanedioic acid dibuty

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504751742

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751742

Sorrisos canónicos

CCCCOC(=O)CCC(=O)OCCCC

IUPAC Name

dibutyl butanedioate

InChIKey

YUXIBTJKHLUKBD-UHFFFAOYSA-N

INCHI

1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3

SMILES isoméricas

CCCCOC(=O)CCC(=O)OCCCC

Peso molecular

230.3

Reaxy-Rn

1786221

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1786221&ln=

Taxonomic Classification

Taxonomy Tree

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

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

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

• Ponto de inflamação (°C): 144°C
• Ponto de ebulição (°C): 274°C
• Ponto de fusão (°C): -29°C
• Peso molecular: 230.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 230.152 Da
• Monoisotopic Mass: 230.152 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 179.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% 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 141-03-7, the molecular formula is C12H22O4, and the molecular weight is 230.3 g/mol. InChIKey YUXIBTJKHLUKBD-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.