Dibutyl Adipate(DBA) - ≥99% , CAS No.105-99-7

CAS: 105-99-7 Cat. No.: D305432 分子式: C₁₄H₂₆O₄ 分子量: 258.35 EC番号: 203-350-4

グレード＆純度 ≥99%

Synonyms

Di-n-butyl adipate | Dibutylester kyseliny adipove [Czech] | Adimoll DB | 1,4-Butanedicarboxylic acid, di-n-butylester | Cetiol B | Experimental tick repellent 3PS | Adipic acid di-n-butyl ester | DIBUTYL ADIPATE | Di-butyl adipate | Dibutylester kyseliny

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Di-n-butyl adipate | Dibutylester kyseliny adipove [Czech] | Adimoll DB | 1,4-Butanedicarboxylic acid, di-n-butylester | Cetiol B | Experimental tick repellent 3PS | Adipic acid di-n-butyl ester | DIBUTYL ADIPATE | Di-butyl adipate | Dibutylester kyseliny

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

Product Line

D305432-25ml

名前と識別子

パブケム・シド

504751453

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751453

カノニカル・スマイル

CCCCOC(=O)CCCCC(=O)OCCCC

IUPAC Name

dibutyl hexanedioate

InChIKey

XTJFFFGAUHQWII-UHFFFAOYSA-N

INCHI

1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3

異性体SMILES

CCCCOC(=O)CCCCC(=O)OCCCC

WGKドイツ

1

RTECS

AV0900000

分子量

258.35

Reaxy-Rn

1790739

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790739&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: fatty acid ester

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

• 溶解度: Insoluble in water, soluble in alcohol and ether.
• 屈折率: 1.436
• 引火点（°F）: 113 °C
• 引火点（°C）: 113°C
• 沸点（°C）: 305°C
• 融点（°C）: -32°C
• 分子量: 258.350 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 258.183 Da
• Monoisotopic Mass: 258.183 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 202.000
• 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