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2,6-Dimethyl-4-heptanone - mixture of isomers，97%, high purity , CAS No.108-83-8

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2,6-Dimethyl-4-heptanone - mixture of isomers，97%, high purity , CAS No.108-83-8

16 Citations

COA

Grade & Purity:

≥97%
stabilized with BHT,mixture of isomers

Cas Number: 108-83-8
Molecular Weight: 142.24
Beilstein Registry Number: 1743163
MDL number: MFCD00008940
PubChem CID: 7958
PubChem SID: 488180624

In stock

Item Number

D111077

Grouped product items
SKU	Size	Availability	Price	Qty
D111077-25ml	25ml	8	$79.90
D111077-100ml	100ml	10	$295.90

Basic Description

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	≥97%, stabilized with BHT,mixture of isomers
Shipped In	Normal

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
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

Names and Identifiers

Pubchem Sid	488180624
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180624
IUPAC Name	2,6-dimethylheptan-4-one
INCHI	InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey	PTTPXKJBFFKCEK-UHFFFAOYSA-N
Smiles	CC(C)CC(=O)CC(C)C
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=

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.

6 results found

Lot Number	Certificate Type	Date	Item
F1920032	Certificate of Analysis	Apr 12, 2023	D111077
C23311542	Certificate of Analysis	Apr 07, 2023	D111077
E1917078	Certificate of Analysis	Mar 08, 2023	D111077
C23311541	Certificate of Analysis	Jun 11, 2021	D111077
J2231091	Certificate of Analysis	Apr 02, 2021	D111077
E2304270	Certificate of Analysis	Apr 02, 2021	D111077

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 Å²
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. 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).
2. Huifang Li, Lijuan Li, Wu Li. (2023) Lithium Extraction from Salt Lake Brine with High Mass Ratio of Mg/Li Using TBP-DIBK Extraction System. Separations, 10 (1): (24).
3. 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, 2022 (2080600).
4. 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).
5. Hui-fang Li, Li-juan Li, Wu Li. (2022) Study of lithium extraction mechanism by TBP extraction system. CHEMICAL PHYSICS LETTERS, 791 (139371).
6. 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, 771 (138510).
7. Huifang Li, Lijuan Li, Xiaowu Peng, Lianmin Ji, Wu Li. (2019) Selective recovery of lithium from simulated brine using different organic synergist. CHINESE JOURNAL OF CHEMICAL ENGINEERING, 27 (335).
8. 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, 183 (531).
9. 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, 212 (302).
10. 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).
11. 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,
12. 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, 363 (132037).
13. Shang-Yu Ou, Rong-Kun Liu, Kang Wang, Qian-Jiang Feng, Yuan Pu, Jie-Xin Wang. (2025) High-gravity-assisted rapid and controlled synthesis of hollow zirconia nanoparticles for dye and phosphate adsorption. SEPARATION AND PURIFICATION TECHNOLOGY, 358 (130262).
14. 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,
15. 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, 64 (105872).
16. 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, 8 (100216).

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