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Mesityl oxide - 90%, high purity , CAS No.141-79-7
Basic Description
Synonyms
Mesityl oxide, European Pharmacopoeia (EP) Reference Standard | Mesityloxyde | Acetone, isopropylidene- | Methyl 2,2-dimethylvinyl ketone | UNII-77LAC84669 | Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98% | Mesity
Specifications & Purity
≥90%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct Parent
Enones
Alternative Parents
Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
External Descriptors
Oxygenated hydrocarbons
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504751751
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751751
IUPAC Name
4-methylpent-3-en-2-one
INCHI
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
InChIKey
SHOJXDKTYKFBRD-UHFFFAOYSA-N
Smiles
CC(=CC(=O)C)C
Isomeric SMILES
CC(=CC(=O)C)C
WGK Germany
1
RTECS
SB4200000
UN Number
1229
Packing Group
III
Molecular Weight
98.14
Beilstein
1361550
Reaxy-Rn
1361550
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361550&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.442
Flash Point(°F)
31℃
Flash Point(°C)
31℃
Boil Point(°C)
129°C
Melt Point(°C)
-52.85°C
Molecular Weight
98.140 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
98.0732 Da
Monoisotopic Mass
98.0732 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
96.700
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.
Zhenxing Cai, Jixiang Liu, Hui Zhao, Lingyan Wang, Xiaobo Chen, Chaohe Yang.
(2023)
Isobaric (Vapor + Liquid) Equilibria for Propylene Carbonate with para-Xylene, ortho-Xylene, meta-Xylene, and Ethylbenzene at 101.33 kPa. JOURNAL OF CHEMICAL AND ENGINEERING DATA,
68
(7):
(1654–1662).
2.
Zhenxing Cai, Hui Zhao, Jixiang Liu, Xiaobo Chen, Chaohe Yang.
(2023)
A multi-stage crystallization separation process operated under three-phase conditions to obtain high-purity and high-yield para-xylene from xylene mixtures. CRYSTENGCOMM,
25
(17):
(2582-2590).
3.
Zhenxing Cai, Gengfei Yang, Hui Zhao, Xiaobo Chen, Chaohe Yang.
(2023)
Modeling and Optimization of a Suspension Crystallization Separation Process for para-Xylene Purification. ORGANIC PROCESS RESEARCH & DEVELOPMENT,
27
(3):
(539–550).
4.
Zhenxing Cai, Jixiang Liu, Hui Zhao, Xiaobo Chen, Chaohe Yang.
(2023)
Modeling and Optimization of the Para-Xylene Continuous Suspension Crystallization Separation Process via a Morphology Technique and a Multi-Dimensional Population Balance Equation. Processes,
11
(3):
(770).
5.
Zhenxing Cai, Gengfei Yang, Hui Zhao, Xiaobo Chen, Chaohe Yang.
(2023)
Isobaric (Vapor + Liquid) Equilibria for Methylcyclohexane with Para-, Ortho-, and Meta-Xylenes and Ethylbenzene at 101.33 kPa. JOURNAL OF CHEMICAL AND ENGINEERING DATA,
68
(3):
(627–632).
6.
Zhenxing Cai, Hui Zhao, Xin Zhou, Xiaobo Chen, Chaohe Yang.
(2022)
Determination and modeling of binary solid-liquid equilibria of para-xylene/meta-xylene, para-xylene/ortho-xylene by DSC method. FLUID PHASE EQUILIBRIA,
554
(113325).
7.
Liping Yang, Jiacheng Xing, Danhua Yuan, Lin Li, Yunpeng Xu, Zhongmin Liu.
(2021)
Synthesis of high-crystallinity MIL-125 with outstanding xylene isomer separation performance. CHINESE JOURNAL OF CATALYSIS,
42
(2313).
8.
Qianqian Xu, Xueru Sheng, Na Li, Jian Zhang, Haiqiang Shi, Meihong Niu, Qingwei Ping, Ning Li.
(2021)
Ball-Milling: A Productive, Economical, and Widely Applicable Method for Condensation of Biomass-Derived Aldehydes and Ketones at Mild Temperatures. ACS Sustainable Chemistry & Engineering,
9
(24):
(8232–8237).
9.
Hongyue Guo, Hui Li, Wei Wang, Bing Li, Qingsong Li.
(2021)
Ternary (liquid + liquid) equilibrium experiment and thermodynamic modeling for water + cyclohexanone + mesityl oxide at 298.2, 303.2 and 313.2 K under 101.3 kPa. JOURNAL OF CHEMICAL THERMODYNAMICS,
160
(106509).
10.
Shuli Wang, Xiaohua Tong, Chunbo Wang, Xiaocui Han, Sizhuo Jin, Daming Wang, Jianan Yao, Chunhai Chen.
(2021)
The spirobichroman-based polyimides with different side groups: from structure–property relationships to chain packing and gas transport performance. RSC Advances,
11
(9):
(5086-5095).
11.
Yirong Feng, Hongbing Song, Meng Xiao, Kaiqiang Lin, Kai Guo, Hengjun Gai.
(2017)
Development of Phenols Recovery process from coal gasification wastewater with mesityl oxide as a novel extractant. Journal of Cleaner Production,
166
(1314).
12.
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).
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12 Citations
G2311044