Diethyl adipate - AR, ≥99.5% , CAS No.141-28-6

CAS: 141-28-6 Cat. No.: D108606 Molecular Weight: 202.25 Beilstein Registry Number: 1780035 EC Number: 205-477-0

GRADE & PURITY AR, ≥99.5%

Synonyms

SCHEMBL50610 | CHEBI:34697 | Diethyl adipate, >=99%, FG | EN300-19693 | Diethyl adipate, analytical standard | Ethyl adipate | DS-5105 | A0162 | AI3-00342 | DUB DEA | DIETHYL ADIPATE [INCI] | Diethyl hexanedioate | F1905-6995 | A807746 | MFCD00009215 | 1,

Storage

Room temperature

Shipped In

Normal

Overview

Diethyl adipate (DEA), a fatty ester, is processed from the esterification of adipic acid and ethanol. It can be used as a plasticizer.

DEA can be used in the synthesis of oligoadipamide, which can be layered with perfluoropolyether networks for protective coating applications. It can also be used as a plasticizer in the development of ethylene chlorotrifluoroethylene copolymer (ECTFE) based membranes for the pervaporation of water and toluene based blends.

Specifications

Synonyms

SCHEMBL50610 | CHEBI:34697 | Diethyl adipate, >=99%, FG | EN300-19693 | Diethyl adipate, analytical standard | Ethyl adipate | DS-5105 | A0162 | AI3-00342 | DUB DEA | DIETHYL ADIPATE [INCI] | Diethyl hexanedioate | F1905-6995 | A807746 | MFCD00009215 | 1,

Specifications & Purity

AR, ≥99.5%

Storage

Room temperature

Shipped In

Normal

Grade

AR

Purity

≥99.5%

Names and Identifiers

• Pubchem Sid: 504751745
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751745
• Canonical Smiles: CCOC(=O)CCCCC(=O)OCC
• IUPAC Name: diethyl hexanedioate
• InChIKey: VIZORQUEIQEFRT-UHFFFAOYSA-N
• INCHI: 1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
• Isomeric SMILES: CCOC(=O)CCCCC(=O)OCC
• WGK Germany: 2
• RTECS: AV1100000
• Molecular Weight: 202.25
• Beilstein: 1780035
• Reaxy-Rn: 1780035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1780035&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: 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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.4272
• Flash Point(°F): 110℃
• Flash Point(°C): 110℃
• Boil Point(°C): 251°C
• Melt Point(°C): -18°C
• Molecular Weight: 202.250 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 202.121 Da
• Monoisotopic Mass: 202.121 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 157.000
• 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

1. Yuheng Fu, Zhiwei Ye, Shixian Zhang, Shan Wang, Chuanxi Xiong.  (2022)  Enhanced piezoelectricity in polyvinyl chloride film plasticized by diethyl adipate.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.129253]

2. Yuanji Gao, Yijun Liu, Xingyu Li, Kaineng Huang.  (2024)  Arc plasma for high-efficiency ionization and scavenging of plasticizers in wrap films.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38262215] [10.1016/j.chroma.2024.464663]

3. Yiyong Zeng, Haixia Sui, Xinyu Liu, Haiyue Hou, Yujie Li, Muhammad Qamer Abbas, Yan Song, Daoyuan Yang, Zhenxia Du.  (2025)  Investigation of the Safety of Polyethylene Terephthalate/Aluminium Foil/Polyamide/Retort Cast Polypropylene Composite Film Packaging Pouches for Prepared Dishes.  PACKAGING TECHNOLOGY AND SCIENCE,      [PMID:] [10.1002/pts.70046]