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Basic Description
| Synonyms | HY-W005327 | SY012223 | STL556954 | NSC-202167 | M57N50D82D | 1-hydroxy-butan-2-one | 1-Hydroxybutan-2-one | FEMA No. 3173 | DTXSID1063693 | DTXSID5037072 | CHEBI:88390 | Q27160237 | PD164974 | UNII-M57N50D82D | A852053 | FT-0607921 | AS-57317 | EINECS 22 |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
- Level5 Ketones
- Level6 Alpha-hydroxy ketones
- Level5 Ketones
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Subclass
Carbonyl compounds
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Alpha-hydroxy ketones |
| Alternative Parents | Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-hydroxy ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-hydroxy ketones. These are organic compounds containing a carboxylic acid, and an amine group attached to the alpha carbon atom, relative to the C=O group. |
| External Descriptors | a small molecule |
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Names and Identifiers
| Pubchem Sid | 504759098 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759098 |
| IUPAC Name | 1-hydroxybutan-2-one |
| INCHI | InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3 |
| InChIKey | GFAZHVHNLUBROE-UHFFFAOYSA-N |
| Smiles | CCC(=O)CO |
| Isomeric SMILES | CCC(=O)CO |
| Molecular Weight | 88.11 |
| Reaxy-Rn | 506105 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506105&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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2206412 |
Certificate of Analysis | Sep 13, 2024 | H193640 |
| L2206394 |
Certificate of Analysis | Sep 13, 2024 | H193640 |
| L2206396 |
Certificate of Analysis | Sep 13, 2024 | H193640 |
| L2206413 |
Certificate of Analysis | Sep 13, 2024 | H193640 |
| L2206414 |
Certificate of Analysis | Sep 13, 2024 | H193640 |
| C1920008 |
Certificate of Analysis | Nov 18, 2022 | H193640 |
| H2209475 |
Certificate of Analysis | Aug 12, 2022 | H193640 |
Chemical and Physical Properties
| Molecular Weight | 88.110 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 88.0524 Da |
| Monoisotopic Mass | 88.0524 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 49.500 |
| 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 |
Documents & Articles
Aldol Condensation Reaction
Categories: Technical articles
Citations of This Product
| 1. Lina Qiao, Jing Wang, Bing Liu, Junyi Wang, Ruifang Wang, Ning Zhang, Baoguo Sun, Yuping Liu, Shuqi Wang, Jie Sun. (2024) Dynamic variation and interrelation in the volatile and non-volatile fractions of deep-fried green onion (Allium fistulosum L.) oil with different frying temperatures. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, 125 (105739). |
| 2. Lanting Li, Yuhong Zhang, Zhenlei Peng, Chuan Wang. (2021) Study of organic impurities affecting ultraviolet transmittance in monoethylene glycol and their formation mechanism. MICROCHEMICAL JOURNAL, 160 (105635). |
| 3. Haiyong Wang, Haosheng Xin, Chiliu Cai, Changhui Zhu, Zhongxun Xiu, Qiying Liu, Yujing Weng, Chenguang Wang, Xinghua Zhang, Shijun Liu, Zifang Peng, Longlong Ma. (2020) Selective C3-C4 Keto-Alcohol Production from Cellulose Hydrogenolysis over Ni-WOx/C Catalysts. ACS Catalysis, 10 (18): (10646–10660). |
| 4. Zelong Mei, Kun Zhang, Ge Qu, Jun-Kuan Li, Baoyan Liu, Jun-An Ma, Ran Tu, Zhoutong Sun. (2020) High-Throughput Fluorescence Assay for Ketone Detection and Its Applications in Enzyme Mining and Protein Engineering. ACS Omega, 5 (23): (13588–13594). |
| 5. Wu Hua-Lei, Zhang Jian-Dong, Zhang Chao-Feng, Fan Xiao-Jun, Chang Hong-Hong, Wei Wen-Long. (2017) Characterization of Four New Distinct ω-Transaminases from Pseudomonas putida NBRC 14164 for Kinetic Resolution of Racemic Amines and Amino Alcohols. APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY, 181 (3): (972-985). |
| 6. Xiaohao Liu, Zibin Xia, Rui Diao, Fenglei Qi, Ying Zhang, Peiyong Ma. (2024) Rice husk-based biogenic silica-anchored Sn-Co bimetallic catalysts for cellulose hydrogenolysis: Structural regulation and mechanism study. Molecular Catalysis, 555 (113861). |
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