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Methyl isopropyl ketone - Standard for GC,>99.5%(GC), high purity , CAS No.563-80-4

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Item Number
M103677
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M103677-5ml
5ml
5
$21.90

Basic Description

Synonyms EINECS 209-264-3 | FT-0659813 | Isobutyl-1-methyl ketone | 3-METHYL-2-BUTANONE | 3-Methyl-2-butanone, analytical standard | 3-methyl-butan-2-one | 3-Methylbutan-2-one | iso-C3H7COCH3 | METHYL-2-BUTANONE, 3- | CHEBI:179699 | NCGC00249104-01 | 2-Acetyl prop
Specifications & Purity Standard for GC, ≥99.5%(GC)
Shipped In Normal
Grade Standard for GC
Product Description

3-Methyl-2-butanone (Methyl isopropyl ketone, MIPK, isopropyl methyl ketone), an aliphatic ketone, is a volatile organic compound. Photodegradation of MIPK in gas-phase has been reported. Asymmetric hydrogenation of MIPK with high enantioselectivity in the presence of Rh-PennPhos (rhodium-P,P′-1,2-phenylenebis(endo-2,5-dialkyl-7-phosphabicyclo[2.2.1]heptane) complex has been reported.
3-Methyl-2-butanone may be used to prepare (R)-3-methyl-2-butanol via asymmetric hydrogenation in the presence of a wool-Pd complex.

Taxonomic Classification

Taxonomy Tree

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 a ketone

Names and Identifiers

IUPAC Name 3-methylbutan-2-one
INCHI InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
InChIKey SYBYTAAJFKOIEJ-UHFFFAOYSA-N
Smiles CC(C)C(=O)C
Isomeric SMILES CC(C)C(=O)C
WGK Germany 1
RTECS EL9100000
UN Number 2397
Packing Group II
Molecular Weight 86.13
Beilstein 1071238
Reaxy-Rn 1071238
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071238&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.

2 results found

Lot Number Certificate Type Date Item
E2305452 Certificate of Analysis Feb 07, 2025 M103677
J2027158 Certificate of Analysis Aug 12, 2022 M103677

Chemical and Physical Properties

Solubility Soluble in most organic solvents.
Refractive Index 1.3887
Flash Point(°F) -3 °C
Flash Point(°C) -3°C
Boil Point(°C) 94-95°C
Melt Point(°C) -92°C
Molecular Weight 86.130 g/mol
XLogP3 0.800
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 86.0732 Da
Monoisotopic Mass 86.0732 Da
Topological Polar Surface Area 17.100 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 55.000
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. Kaixuan Shen, Han Zhao, Yihao Zhao, Xiaoxiang Wang, Ping Cheng, Congfei Yao, Jie Zhang, Yongpeng Yang, Weijia Huang.  (2024)  Exploring the carbon-chain structure-activity relationship of CO2 and ketone-based absorbents.  JOURNAL OF MOLECULAR STRUCTURE,  1302  (137470). 
2. Yan Jia, Lili Xu, Lancheng Wang, Kun Yan, Jieru Chen, Pengcheng Xu, Bin Di, Fang Yan, Chi Hu.  (2023)  A light-up fluorescence probe for wash-free analysis of Mu-opioid receptor and ligand-binding events.  ANALYTICA CHIMICA ACTA,  1261  (341220). 
3. Lin Chai, Yequn Liu, Wenjun Yan, Na Teng, Hongyan Li, Yongqin Qi, Haoliang Huang, Xiaojing Cui, Xianglin Hou, Tiansheng Deng.  (2023)  Modification of graphene with nitrogen and oxygen via radical reactions with simple mechanical treatment.  DIAMOND AND RELATED MATERIALS,  135  (109857). 
4. Cheng-Dong Su, Yi-Yuan Shi, Jun Gao.  (2023)  Synthesis and properties of photochromic polymer contain spiro-oxazine induced by ultraviolet light.  SOFT MATERIALS,     
5. Lin Chai, Hongliang Wang, Hongyan Li, Lijuan Su, Shiyu Jia, Xiaojie Shao, Yingxiong Wang, Yongqin Qi, Xiaojing Cui, Xianglin Hou, Tiansheng Deng.  (2022)  Exfoliation of Graphene from Graphite Facilitated by Chemical Edge Decoration.  Journal of Physical Chemistry C,  126  (45): (19294–19303). 
6. Jing Liu, Lingfeng Wang, Ronghua Shen, Jie Zhao, Ying Qian.  (2022)  A novel heptamethine cyanine photosensitizer for FRET-amplified photodynamic therapy and two-photon imaging in A-549 cells.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,  274  (121083). 
7. Liang Dongxin, Tuo Xiaoqian, Wang Qing, Zhao Lanbo, Zhang Kailu, Wang Yiran, Feng Xue, Yin Panyue, Guo Lin, Liu Yu, Wang Lei, Han Lu, An Ruifang, Li Qiling.  (2021)  Near-Infrared Fluorescent Agent for In Vitro Screening of Endometrial Cancer and Precancerous Lesions.  Frontiers in Oncology,  11   
8. Rui Liu, Hengye Chen, Shuo Wang, Liuna Wei, Yongjie Yu, Wei Lan, Jian Yang, Lanping Guo, Haiyan Fu.  (2021)  Maillard reaction products and guaiacol as production process and raw material markers for the authentication of sesame oil.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  102  (1): (250-258). 
9. Hao Liu, Juanjuan Yin, Enyun Xing, Yingying Du, Yu Su, Yaqing Feng, Shuxian Meng.  (2021)  Halogenated cyanine dyes for synergistic photodynamic and photothermal therapy.  DYES AND PIGMENTS,  190  (109327). 
10. Yingying Zhang, Yanliang Zhao, Bo Song, Chaobo Huang.  (2021)  Spectroscopic behavior and intracellular application of a highly sensitive UV-fluorescence double ratio probe based on water-soluble indole for detection acid pH.  DYES AND PIGMENTS,  188  (109205). 
11. Xiao‑Guang Yang, Yan‑Yu Li, Dong‑Xue Zhao, Wei Cui, Han Li, Xin‑Yu Li, Yu‑Xin Li, Dun Wang.  (2021)  Repurposing of a monoamine oxidase A inhibitor‑heptamethine carbocyanine dye conjugate for paclitaxel‑resistant non‑small cell lung cancer.  ONCOLOGY REPORTS,  45  (3): (1306-1314). 
12. Xiao-Guang Yang, Yan-Hua Mou, Yong-Jun Wang, Jian Wang, Yan-Yu Li, Rui-Heng Kong, Meng Ding, Dun Wang, Chun Guo.  (2019)  Design, Synthesis, and Evaluation of Monoamine Oxidase A Inhibitors–Indocyanine Dyes Conjugates as Targeted Antitumor Agents.  MOLECULES,  24  (7): (1400). 
13. Lan Du, Jiang Dai, Zhi-Yuan Xu, Ke-Ke Yang, Yu-Zhong Wang.  (2019)  From shape and color memory PCL network to access high security anti-counterfeit material.  POLYMER,  172  (52). 
14. Qingzhi Lv, Xiaoguang Yang, Menglin Wang, Jincheng Yang, Zhilin Qin, Qiming Kan, Haotian Zhang, Yongjun Wang, Dun Wang, Zhonggui He.  (2018)  Mitochondria-targeted prostate cancer therapy using a near-infrared fluorescence dye–monoamine oxidase A inhibitor conjugate.  JOURNAL OF CONTROLLED RELEASE,  279  (234). 
15. Liyi Fu, Pan Yuan, Zheng Ruan, Le Liu, Tuanwei Li, Lifeng Yan.  (2017)  Ultra-pH-sensitive polypeptide micelles with large fluorescence off/on ratio in near infrared range.  Polymer Chemistry,  (6): (1028-1038). 

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