Diethyl adipate(DEA) - CP, ≥99% , CAS No.141-28-6

CAS: 141-28-6 Cat. No.: D108605 분자식: C₁₀H₁₈O₄ 분자량: 202.25 Beilstein Registry Number: 1780035 EC 번호: 205-477-0

GRADE & PURITY CP, ≥99%

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

Specifications

동의어

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,

사양 및 순도

CP, ≥99%

보관 조건

Room temperature

배송

Normal

등급

CP

순수함

≥99%

이름과 식별자

• Pubchem Sid: 488180891
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180891
• 정식 스마일: 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
• 이성체 SMILES: CCOC(=O)CCCCC(=O)OCC
• WGK 독일: 2
• RTECS: AV1100000
• 분자량: 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
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Insoluble in water; Soluble in Ether,Alcohol
• 감도: Moisture sensitive.
• 굴절률: 1.4272
• 발화점(°F): 110℃
• 발화점(°C): 110℃
• 끓는점(°C): 251°C
• 녹는점(°C): -18°C
• 분자량: 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

참고 문헌

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]