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

CAS: 141-03-7 Cat. No.: D190847 分子式: C₁₂H₂₂O₄ 分子量: 230.3 EC番号: 205-449-8

GRADE & PURITY ≥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

概要

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

Specifications

同義語

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

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

504751742

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCOC(=O)CCC(=O)OCCCC

分子量

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
    • 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: 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

化学的性質と物理的性質

• 引火点（°C）: 144°C
• 沸点（°C）: 274°C
• 融点（°C）: -29°C
• 分子量: 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

よくある質問

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.