Bis(2-ethylhexyl)adipate(DOA) - ≥99% , CAS No.103-23-1

CAS: 103-23-1 Cat. No.: B103070 Formula: C₂₂H₄₂O₄ Molecular Weight: 370.57 Beilstein Registry Number: 1803774 EC Number: 203-090-1

GRADE & PURITY ≥99%

Synonyms

DOA | BIS(2-ETHYLHEXYL) ADIPATE | Bis(2-ethylhexyl)hexanedioate | Merrol DOA | Vistone A 10 | Kemester 5652 | ADIPIC ACID BIS(2-ETHYLHEXYL) ESTER | NSC 56775 | 2072051-04-6 | DI-(2-ETHYLHEXYL)ADIPATE [MART.] | DS-7125 | NCI-C54386 | Adipic acid di[2-ethyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DOA | BIS(2-ETHYLHEXYL) ADIPATE | Bis(2-ethylhexyl)hexanedioate | Merrol DOA | Vistone A 10 | Kemester 5652 | ADIPIC ACID BIS(2-ETHYLHEXYL) ESTER | NSC 56775 | 2072051-04-6 | DI-(2-ETHYLHEXYL)ADIPATE [MART.] | DS-7125 | NCI-C54386 | Adipic acid di[2-ethyl

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751417
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751417
• Canonical Smiles: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
• IUPAC Name: bis(2-ethylhexyl) hexanedioate
• InChIKey: SAOKZLXYCUGLFA-UHFFFAOYSA-N
• INCHI: 1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
• Isomeric SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
• WGK Germany: 1
• RTECS: AU9700000
• Molecular Weight: 370.57
• Beilstein: 1803774
• Reaxy-Rn: 1803774
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1803774&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: Phthalates

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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATM Tchem Serine-protein kinase ATM (4198 Activities)

Discover Target: ATM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol. Insoluble in water.
• Refractive Index: 1.4472
• Flash Point(°F): 384.8℉
• Flash Point(°C): 196℃
• Boil Point(°C): 175°C
• Melt Point(°C): -67°C
• Molecular Weight: 370.600 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 370.308 Da
• Monoisotopic Mass: 370.308 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 320.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Hongsheng Yu, Xiaodong Yu, Hongwei Gao, Luigi T. DeLuca, Wei Zhang, Ruiqi Shen.  (2023)  Combustion Characteristics of HTPB-Based Hybrid Rocket Fuels: Using Nickel Oxide as the Polymer Matrix Pyrolysis Catalyst.  Aerospace,  10  (9): (800).  [PMID:] [10.3390/aerospace10090800]

2. Suhang Chen, Yue Tang, Wei Zhang, Ruiqi Shen, Hongsheng Yu, Yinghua Ye, Luigi T. DeLuca.  (2019)  Innovative Methods to Enhance the Combustion Properties of Solid Fuels for Hybrid Rocket Propulsion.  Aerospace,  6  (4): (47).  [PMID:] [10.3390/aerospace6040047]

3. Suhang Chen, Yue Tang, Hongsheng Yu, Xinyan Guan, Luigi T. DeLuca, Wei Zhang, Ruiqi Shen, Yinghua Ye.  (2018)  Combustion enhancement of hydroxyl-terminated polybutadiene by doping multiwall carbon nanotubes.  CARBON,      [PMID:] [10.1016/j.carbon.2018.12.063]

4. 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]

5. Yanan Sun, Yuqi Zhu, Shengjiang Zhang, Suhang Chen, Fengqi Zhao, Kangzhen Xu.  (2024)  Construction of nanoflowers combustion catalyst NiO@g-C3N4 for improving thermal decomposition performance of AP.  CERAMICS INTERNATIONAL,      [PMID:] [10.1016/j.ceramint.2024.08.212]

6. Wei Le, Wanjun Zhao, Yanli Zhu, Ziting Wei, Zhigang Liu, Dazhi Liu, Qingjie Jiao.  (2024)  Stable aluminum-lithium alloy fuels for solid propellants by facile surface modifying.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.154451]

7. Zhiwen Wang, Hui Wang, Lian Li, Qianyi Zhang, Feng Li, Ruiqi Shen, Yinghua Ye, Wei Zhang.  (2024)  Combustion and plume-plasma characteristics of cesium-based solid propellant.  COMBUSTION AND FLAME,      [PMID:] [10.1016/j.combustflame.2024.113419]

8. Lianpeng Cui, Jie Zhang, Xi Chen, Honghong Qin, Kangzhen Xu, Xiaolong Fu, Suhang Chen.  (2025)  Synergistic coupling of micro-explosive and catalysis combustion enabled by high‑nitrogen energetic compounds: An innovation in HTPB regression rate modulation for hybrid propulsion.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164721]

9. Sirui Liang, Yalang Zhang, Ying Zhang, Wenzhen Liao, Qi He.  (2026)  Occurrence and migration of non-intentionally added substances in raw and finished PEEK-based food contact materials via suspect screening and risk prioritization.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:42485722] [10.1016/j.jhazmat.2026.142982]