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Di-n-octyl Sebacate - 95%, high purity , CAS No.27214-90-0

    Grade & Purity:
  • ≥95%
In stock
Item Number
D111323
Grouped product items
SKU Size
Availability
Price Qty
D111323-10ml
10ml
2
$96.90
D111323-50ml
50ml
2
$375.90

Basic Description

Synonyms Diisooctyl sebacate | 27214-90-0 | bis(6-methylheptyl) decanedioate | Decanedioic acid, diisooctyl ester | Decanedioic acid, 1,10-diisooctyl ester | ZD1TEK0P5Y | Sebacic acid, bis(6-methylheptyl) ester | 106-04-7 | UNII-ZD1TEK0P5Y | EINECS 248-333-2 | HALLGREEN DCS | NIKKOL GS
Specifications & Purity ≥95%
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

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 Not available

Names and Identifiers

Pubchem Sid 488187565
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187565
IUPAC Name bis(6-methylheptyl) decanedioate
INCHI InChI=1S/C26H50O4/c1-23(2)17-11-9-15-21-29-25(27)19-13-7-5-6-8-14-20-26(28)30-22-16-10-12-18-24(3)4/h23-24H,5-22H2,1-4H3
InChIKey ZWYAVGUHWPLBGT-UHFFFAOYSA-N
Smiles CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C
Isomeric SMILES CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C
Molecular Weight 426.67
Reaxy-Rn 13593577
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13593577&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number Certificate Type Date Item
I2402179 Certificate of Analysis Aug 13, 2024 D111323
I2402180 Certificate of Analysis Aug 13, 2024 D111323
F1911240 Certificate of Analysis Apr 11, 2023 D111323
C2302335 Certificate of Analysis Dec 12, 2022 D111323
C2302356 Certificate of Analysis Dec 12, 2022 D111323
C2302328 Certificate of Analysis Dec 12, 2022 D111323
C2302334 Certificate of Analysis Dec 12, 2022 D111323
H2420030 Certificate of Analysis Dec 12, 2022 D111323
H2208035 Certificate of Analysis Aug 10, 2022 D111323

Chemical and Physical Properties

Boil Point(°C) 225°C
Molecular Weight 426.700 g/mol
XLogP3 9.000
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 23
Exact Mass 426.371 Da
Monoisotopic Mass 426.371 Da
Topological Polar Surface Area 52.600 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 366.000
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

Citations of This Product

1. Ruixuan Xu, Minghui Yu, Zhihua Xue, Haorui Zhang, Qi-Long Yan.  (2023)  Enhancing the Ignition and Combustion Performances of Solid Propellants Incorporating Al Particles Inside Oxidizers.  ACS Applied Materials & Interfaces,  15  (48): (56442–56453). 
2. Ming-Hui Yu, RuiXuan Xu, Wu-Xi Xie, Ya-Jin Li, Hong-Qi Nie, Qi-Long Yan.  (2023)  High-Energy Composite Fuels with Improved Combustion Efficiency by Using AlH3 Embedded with Al Particles.  ACS Applied Materials & Interfaces,  15  (42): (49611–49622). 
3. Lu Liu, Lipeng Sang, Dongliang Gou, Zhan Wen, Gangchui Zhang, Peijin Liu, Guoqiang He, Wen Ao.  (2023)  Controlling the combustion and agglomeration characteristics of solid propellants via new micro-unit composite fuel Al@AP.  COMBUSTION AND FLAME,  258  (113107). 
4. Hongqi Nie, Zikangping Wang, Xue-Xue Zhang, Su-Lan Yang, Zhi Ren, Qi-Long Yan.  (2023)  Precise Regulation of Combustion Characteristics of High-Energy Composite Propellants by Incorporation of CL-20 Crystals Intercalated with Energetic Burn Rate Modifiers.  LANGMUIR,  39  (36): (12599–12609). 
5. Xiang Lv, Jiaxing Xu, Ruixuan Xu, Wuxi Xie, Qazi Wasiullah, Qi-Long Yan.  (2023)  The effect of Al/oxidizers interfacial structure on the mechanical properties of composite propellants.  POLYMER TESTING,  126  (108167). 
6. An Chen, Bo Wu, Lan Li, Ting You, Jun Wang, Jinpeng Shen, Chonghua Pei.  (2023)  Liquid metal embrittlement to boost reactivity and combustion performance of Al in composite propellants.  FUEL,  331  (125726). 
7. Xue-Xue Zhang, Su-Lan Yang, Zhi-Hua Xue, Shuwen Chen, Qi-Long Yan.  (2022)  Multi-scale modified nitramine crystals with conjugated structure intercalation and thin-layer catalyst coating for well-controlled energy release rate.  CHEMICAL ENGINEERING JOURNAL,  448  (137730). 
8. Zikangping Wang, Zhi-Hua Xue, Ke-Juan Meng, Xue-Xue Zhang, Qi-Long Yan.  (2022)  Decomposition and combustion of HTPB-based composite propellants containing intercalated HMX crystals with desired high energy but low burn rate.  FUEL,  321  (124067). 
9. Wen Ao, Zhan Wen, Lu Liu, Yang Wang, Yu Zhang, Peijin Liu, Zhao Qin, Larry K.B. Li.  (2022)  Combustion and agglomeration characteristics of aluminized propellants containing Al/CuO/PVDF metastable intermolecular composites: A highly adjustable functional catalyst.  COMBUSTION AND FLAME,  241  (112110). 
10. Lyu Jie-Yao, Yang Su-Lan, Wu Shixi, Tang Gen, Yang Wenming, Yan Qi-Long.  (2022)  Burning rate modulation for composite propellants by interfacial control of Al@AP with precise catalysis of CuO.  COMBUSTION AND FLAME,  240  (112029). 
11. Beilin Zuo, Shuai-Zhong Wang, Sulan Yang, Peijin Liu, Qi-Long Yan.  (2022)  Thermal decomposition and combustion behavior of solid propellant containing Si-based composites.  COMBUSTION AND FLAME,  240  (111959). 
12. Ke-Juan Meng, Haorui Zhang, Shuai-Zhong Wang, Yi Wang, Qinghua Zhang, Qi-Long Yan.  (2022)  Unique thermal and combustion behaviors of composite propellants containing a high-energy insensitive nitropyrimidine derivative.  COMBUSTION AND FLAME,  237  (111855). 
13. De-Yun Tang, Zhi-Min Fan, Guangcheng Yang, Yinglei Wang, Pei-Jin Liu, Qi-Long Yan.  (2020)  Combustion performance of composite propellants containing core-shell Al@M(IO3)x metastable composites.  COMBUSTION AND FLAME,  219  (33). 
14. Jie-Yao Lyu, Jia-Hao Yu, De-Yun Tang, Wei He, Bo-Wen Tao, Xiang Guo, Qi-Long Yan.  (2020)  Unexpected burning rate independence of composite propellants on the pressure by fine interfacial control of fuel/oxidizer.  CHEMICAL ENGINEERING JOURNAL,  388  (124320). 
15. Haozhe Li, Xiandie Zhang, Heng Xu, Xuxu Cui, Zhijie Fan, Zhen Liu, Xiaode Guo.  (2025)  Based on the synergistic effect of cobalt alginate/ZIF-67 strengthening the combustion and mechanical properties of ammonium perchlorate-based propellant.  Materials Today Chemistry,  43  (102497). 
16. Ruixuan Xu, Jiaxing Xu, Zhihua Xue, Qi-Long Yan.  (2024)  Combustion performance modulation and agglomeration inhibition of HTPB propellants by fine Al/oxidizers integration.  FUEL,  367  (131587). 
17. Ruixuan Xu, Zhihua Xue, Haorui Zhang, Hongqi Nie, Qi-Long Yan.  (2024)  Control of burning rate pressure sensitivity for solid propellants by changing the interfacial contact of Al/HMX/AP with precisely located graphene-based energetic catalysts.  COMBUSTION AND FLAME,  269  (113665). 
18. Ying Wang, Xintong Dong, Lin Ma, Mingjin Fan.  (2024)  Facilitating Investigations of Sustainable Ester Oils: Lubricating Performance, Phytotoxicity Indicators, and Their Structure–Activity Relationship.  ACS Sustainable Chemistry & Engineering,  12  (7): (2790-2801). 
19. Huanhuan Gao, Jianzhong Liu, Zhihao Sun, Fan Zhang.  (2025)  Mechanistic analysis and performance comparison of core-shell assembled molecular perovskite energetic materials in HTPB propellant.  JOURNAL OF ALLOYS AND COMPOUNDS,  1022  (180040). 
20. Huanhuan Gao, Hui Liu, Peihui Xu, Jianzhong Liu.  (2024)  Micro-explosion-induced combustion and agglomeration characteristics in composite propellants with fluorinated graphene.  ACTA ASTRONAUTICA,  225  (489). 

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