2,6-Dimethyl-4-heptanone - ≥99% , CAS No.108-83-8

CAS: 108-83-8 Cat. No.: D111078 Molecular Weight: 142.24 Beilstein Registry Number: 1743163 EC Number: 203-620-1

GRADE & PURITY ≥99%

Synonyms

2,6-Dimetil-eptan-4-one | BRN 1743163 | EN300-19773 | UNII-V52W30H1BU | 4-HEPTANONE,2,6-DIMETHYL DIISOBUTYL,KETONE | DIBK | Diisobutyl ketone [UN1157] [Flammable liquid] | MFCD00008940 | VS-03235 | 2,6-Dimethyl-4-heptanone, technical grade, 80% | 4-Hepta

Shipped In

FedEx DG Service

Specifications

Synonyms

2, 6-Dimetil-eptan-4-one | BRN 1743163 | EN300-19773 | UNII-V52W30H1BU | 4-HEPTANONE, 2, 6-DIMETHYL DIISOBUTYL, KETONE | DIBK | Diisobutyl ketone [UN1157] [Flammable liquid] | MFCD00008940 | VS-03235 | 2, 6-Dimethyl-4-heptanone, technical grade, 80% | 4-Hepta

Specifications & Purity

≥99%

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)CC(=O)CC(C)C
• IUPAC Name: 2,6-dimethylheptan-4-one
• InChIKey: PTTPXKJBFFKCEK-UHFFFAOYSA-N
• INCHI: 1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
• Isomeric SMILES: CC(C)CC(=O)CC(C)C
• WGK Germany: 1
• UN Number: 1157
• Packing Group: III
• Molecular Weight: 142.24
• Beilstein: 1743163
• Reaxy-Rn: 1743163
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743163&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• External Descriptors: Not available

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: Not soluble in water, but miscible with most organic solvents such as ethanol and ether.
• Refractive Index: 1.412
• Flash Point(°F): 120.2 °F
• Flash Point(°C): 49 °C
• Boil Point(°C): 165-170°C
• Melt Point(°C): -46.4°C
• Molecular Weight: 142.240 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 142.136 Da
• Monoisotopic Mass: 142.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 91.300
• 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. Qian Li, Zhenghua Guo, Shining Geng, Manyu Wen, Jiahui Wang, Liang Yu.  (2025)  Precision tuning of micropore flexibility in polysilsesquioxane membranes for enhanced helium extraction.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.168294]

2. Li Hui-Fang, Li Li-Juan, Ji Lian-Min, Shi Dong.  (2023)  Extraction of Lithium From Salt Lake Brine with High Mg/Li Mass Ratio by N523-DIBK Extraction System.  Journal of Sustainable Metallurgy,  9  (4): (1456-1465).  [PMID:] [10.1007/s40831-023-00738-6]

3. Huifang Li, Lijuan Li, Wu Li.  (2022)  Lithium Extraction from Salt Lake Brine with High Mass Ratio of Mg/Li Using TBP-DIBK Extraction System.  Separations,  10  (1): (24).  [PMID:] [10.3390/separations10010024]

4. Chao Li, Linna Duan, Mingchao Han, Hongwei He, Mengxiang Yuan, Hairong Wang.  (2022)  A Chelating Resin of EDTA-Type Modified Cross-Linking Polystyrene to Preconcentrate Trace Metals for Seawater Detection.  Journal of Analytical Methods in Chemistry,      [PMID:36275429] [10.1155/2022/2080600]

5. Wei Hui, Xin-Yi Xu, Fei-Feng Mao, Ling Shi, Hai-Jun Wang.  (2022)  N/O-rich multilayered ultramicroporous carbon for highly efficient capture and conversion of CO2 under atmospheric conditions.  Sustainable Energy & Fuels,  6  (13): (3208-3219).  [PMID:] [10.1039/D2SE00469K]

6. Hui-fang Li, Li-juan Li, Wu Li.  (2022)  Study of lithium extraction mechanism by TBP extraction system.  CHEMICAL PHYSICS LETTERS,      [PMID:] [10.1016/j.cplett.2022.139371]

7. Hongming Rui, Licheng Zhang, Lijuan Li, Lixia zhu.  (2021)  Solvent extraction of lithium from hydrochloric acid leaching solution of high-alumina coal fly ash.  CHEMICAL PHYSICS LETTERS,      [PMID:] [10.1016/j.cplett.2021.138510]

8. Huifang Li, Lijuan Li, Xiaowu Peng, Lianmin Ji, Wu Li.  (2018)  Selective recovery of lithium from simulated brine using different organic synergist.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2018.04.010]

9. Mei-Xia Zhao, Xian-Yong Wei, Meng Qu, Jiao Kong, Zhan-Ku Li, Jing Liu, Zhi-Min Zong.  (2016)  Complete hydrocracking of dibenzyl ether over a solid acid under mild conditions.  FUEL,      [PMID:] [10.1016/j.fuel.2016.06.086]

10. Jing Yang, Liang Zhao, Shaotong Liu, Yuanyuan Wang, Liyi Dai.  (2016)  High-quality bio-oil from one-pot catalytic hydrocracking of kraft lignin over supported noble metal catalysts in isopropanol system.  BIORESOURCE TECHNOLOGY,      [PMID:27123643] [10.1016/j.biortech.2016.04.029]

11. Han Dongxiao, Yang Jianming, Wang Hongqiang, Shen Jun, Wu Guangming, Zhang Zhihua, Fan Runhua, Zhou Bin, Du Ai.  (2024)  3D-printed hybrid zirconia hydrogels for ultrahigh-efficiency phosphate adsorption.  Advanced Composites and Hybrid Materials,  7  (4): (1-14).  [PMID:] [10.1007/s42114-024-00941-3]

12. Biao Yuan, Fujin Sun, Pingting Chen, Kunpeng He, Pan Wu, Changjun Liu, Jian He, Wei Jiang.  (2025)  Adsorption process for purifying vanadium from chromium-contaminated leaching solutions using zirconium-based adsorbents.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2025.01.008]

13. Weiwei Qi, Lan Xiang, Mingqiang Ning, Tao Liu, Yuanyuan Li, Xueheng Zhuang, Ganggang Lv, Qiang Wu, Guoguo Tan, Qingzheng Jiang, Qikui Man, Baogen Shen.  (2024)  Dual-oxides confined carbonyl iron enabling superior electromagnetic wave absorption and anticorrosion performance.  Nano Materials Science,      [PMID:] [10.1016/j.nanoms.2024.10.008]

14. Biao Yuan, Zhenglu Yang, Pan Wu, Xingbo Yin, Changjun Liu, Fujin Sun, Jian He, Wei Jiang.  (2025)  Efficient treatment of chromium-containing wastewater based on auxiliary intelligent model with rapid-response adsorbents.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.132037]

15. Shang-Yu Ou, Rong-Kun Liu, Kang Wang, Qian-Jiang Feng, Yuan Pu, Jie-Xin Wang.  (2024)  High-gravity-assisted rapid and controlled synthesis of hollow zirconia nanoparticles for dye and phosphate adsorption.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.130262]

16. Zhenghao Zhang, Zekai Zhang, Junyu Hou, Yiyue Zhao, Jia Jia, Jiwei Wang, Jie Zhao, Cheng Lian, Angang Dong, Dongyuan Zhao, Wei Li.  (2024)  Stress-induced self-assembly of hierarchically twisted stripe arrays.  Science Bulletin,      [PMID:39755466] [10.1016/j.scib.2024.12.045]

17. Ruirui Li, Dongyue Yang, Zhiyu Li, Xiaohong Tang, Ke Zhong, Yan Ding, Xiaomei Han, Xueqiang Guan, Yuxia Sun.  (2025)  The effect of stem contact fermentation on the quality of Cabernet Sauvignon and Merlot wines from Yantai, China.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.105872]

18. Zhiming Chen, Zhiwen Shi, Peng Zhang, Li Gao, Bingxin Liu, Lijuan Qiao.  (2024)  Trace ammonia detection realized by mixed Ti-Zr metal-organic-frameworks and its application in exhaled breath sensing at room temperature.  Sensors and Actuators Reports,      [PMID:] [10.1016/j.snr.2024.100216]

19. Jin Hu, Fangfang Liu.  (2025)  Enhancing Energy Density of BaTiO3-Bi(M)O3@SiO2/PVDF Nanocomposites via Filler Component Modulation and Film Structure Design.  Nanomaterials,  15  (8): (569).  [PMID:40278435] [10.3390/nano15080569]

20. Yue Jia, Han Zhang, Huiyan Zhou, Yan Wang, Caiming Wang, Mengchen Yang, Chunxue Zhai, Xiaofei Qi, Dengwei Hu, Lili Zhao, Bin Cui.  (2025)  Energy storage density of BSCZT/PVDF composites based on egg-like ceramic filler driving PVDF phase transformation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.162538]

21. Jiandong Zuo, Zhao Liu, Chaoyun Luo, Guangliang Gary Liu.  (2025)  Soluble and colorless polythioetherimide films hybridized by TiO2/ZrO2 particles.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.165767]

22. Wenlu Song, Meng Guo, Junzhu Chen, Ting Qi, Xiuxiu Ren, Dongliang Jin, Jing Zhong.  (2025)  Bridged organosilica membranes with precisely tailored microstructure for efficient pervaporation purification of organic solvents.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.125110]

23. Cheng-Du Guan, Yong-Chao Qi, Zhong-Hao Jiang, Ai-Min Wang, Ni Bai, Jin-Zhong Chen, Ai-Rong Mao, Zi-Long Zhao, Lin Lang, Jian Wei, Jin-Xi Wang, Jin-Jun Bai.  (2026)  Hydrocarbon-rich oils from subbituminous coal via facilitated hydrocracking over a tailored Zr@Co/C600 core-shell catalyst.  JOURNAL OF THE ENERGY INSTITUTE,      [PMID:] [10.1016/j.joei.2026.102451]

24. Yongqiang Ye, Bo Xu, Yanmei Xiong, Xueyuan Yang, Wenchao Huang.  (2026)  Enhancing high-temperature antioxidation and ablation resistance of phenolic aerogel composites with Si-Zr ceramic-coated carbon fibers.  COMPOSITES PART B-ENGINEERING,      [PMID:] [10.1016/j.compositesb.2026.113420]

25. Zhu Shan, Hu Jiugang.  (2026)  Selective Extraction and Separation of Lithium from the Leachate of Clay-Type Lithium Ore.  Journal of Sustainable Metallurgy,      [PMID:] [10.1007/s40831-026-01455-6]