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

CAS: 105-99-7 Cat. No.: D305432 Formule: C₁₄H₂₆O₄ Poids moléculaire: 258.35 Numéro CE: 203-350-4

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Product Line

D305432-25ml

Noms et identifiants

Pubchem Sid

504751453

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCCCOC(=O)CCCCC(=O)OCCCC

WGK Allemagne

1

RTECS

AV0900000

Poids moléculaire

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
    • 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
• 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: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, soluble in alcohol and ether.
• Indice de réfraction: 1.436
• Point d'éclair (°F): 113 °C
• Point d'éclair (°C): 113°C
• Point d'ébullition (°C): 305°C
• Point de fusion (°C): -32°C
• Poids moléculaire: 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