Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice,FedEx DG Service Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 43 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Isovaleraldehyde is a short-chain aldehyde that can be produced by oxidizing isoamyl alcohol.
Isovaleraldehyde is an attractant and its interaction with zoospores of the fungus Phytophthora palmivora has been studied by binding techniques.
| Pubchem Sid | 508813462 |
|---|---|
| Canonical Smiles | CC(C)CC=O |
| IUPAC Name | 3-methylbutanal |
| InChIKey | YGHRJJRRZDOVPD-UHFFFAOYSA-N |
| INCHI | 1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 |
| Isomeric SMILES | CC(C)CC=O |
| WGK Germany | 1 |
| RTECS | ES3450000 |
| UN Number | 1989 |
| Packing Group | I |
| Molecular Weight | 86.13 |
| Beilstein | 773692 |
| Reaxy-Rn | 773692 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773692&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes |
| Direct Parent | Alpha-hydrogen aldehydes |
| Alternative Parents | Short-chain aldehydes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. |
| External Descriptors | a small molecule |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Aug 12, 2025 | I103729 | |
| Certificate of Analysis | Aug 12, 2025 | I103729 | |
| Certificate of Analysis | Aug 12, 2025 | I103729 | |
| Certificate of Analysis | Aug 12, 2025 | I103729 | |
| Certificate of Analysis | Mar 22, 2025 | I103729 | |
| Certificate of Analysis | Mar 22, 2025 | I103729 | |
| Certificate of Analysis | Mar 22, 2025 | I103729 | |
| Certificate of Analysis | Mar 22, 2025 | I103729 | |
| Certificate of Analysis | Mar 22, 2025 | I103729 | |
| Certificate of Analysis | Mar 22, 2025 | I103729 | |
| Certificate of Analysis | Mar 22, 2025 | I103729 | |
| Certificate of Analysis | May 11, 2024 | I103729 | |
| Certificate of Analysis | May 11, 2024 | I103729 | |
| Certificate of Analysis | May 11, 2024 | I103729 | |
| Certificate of Analysis | May 11, 2024 | I103729 | |
| Certificate of Analysis | Apr 02, 2024 | I103729 | |
| Certificate of Analysis | Mar 27, 2023 | I103729 | |
| Certificate of Analysis | Mar 27, 2023 | I103729 | |
| Certificate of Analysis | Mar 27, 2023 | I103729 | |
| Certificate of Analysis | Jan 11, 2023 | I103729 | |
| Certificate of Analysis | Jan 11, 2023 | I103729 | |
| Certificate of Analysis | Jan 11, 2023 | I103729 | |
| Certificate of Analysis | Jan 11, 2023 | I103729 | |
| Certificate of Analysis | Jan 11, 2023 | I103729 | |
| Certificate of Analysis | Oct 10, 2022 | I103729 | |
| Certificate of Analysis | Oct 10, 2022 | I103729 | |
| Certificate of Analysis | Oct 10, 2022 | I103729 | |
| Certificate of Analysis | Oct 10, 2022 | I103729 | |
| Certificate of Analysis | Oct 10, 2022 | I103729 | |
| Certificate of Analysis | Jul 08, 2022 | I103729 | |
| Certificate of Analysis | Mar 11, 2021 | I103729 |
| Solubility | Slightly soluble in water, soluble in alcohol and ether. |
|---|---|
| Sensitivity | Light and air sensitive ,heat sensitive |
| Refractive Index | 1.387-1.389 |
| Flash Point(°F) | 32.9 °F |
| Flash Point(°C) | 0.5 °C |
| Boil Point(°C) | 90°C |
| Melt Point(°C) | -60°C |
| Molecular Weight | 86.130 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| 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 | 39.200 |
| 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 |
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| 3. Hua Liu, Xingguang Chen, Jian Lu, Dianhui Wu. (2023) Evaluation of the differences between low-salt solid-state fermented soy sauce and high-salt diluted-state fermented soy sauce in China: from taste-active compounds and aroma-active compounds to sensory characteristics. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, [PMID:37574531] [10.1002/jsfa.12924] |
| 4. Liu Ying, Liu Xin, Gao Ying, Dong Shijian, Xiang Xiaole, Ma Lulu, Li Shugang. (2023) Recognition and identification of compounds contributing to off-flavor of egg white powder by molecular sensory science approach. EUROPEAN FOOD RESEARCH AND TECHNOLOGY, 249 (7): (1749-1759). [PMID:] [10.1007/s00217-023-04249-2] |
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| 6. Xiaoqing Ye, Yan Liu, Changbo Peng, Xi Guan, Yi Liu, Zhenming Che, Hongbin Lin, Xu Min, Qi Zhu, Wenwu Ding. (2022) Contribution of microbial communities to flavors of Pixian Douban fermented in the closed system of multi-scale temperature and flow fields. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2022.114188] |
| 7. Jingyao Li, Mengli Zhang, Xiaojuan Feng, Tingting Ding, Yue Zhao, Chengguo Sun, Shengli Zhou, Jing He, Chunling Wang. (2022) Characterization of fragrant compounds in different types of high-salt liquid-state fermentation soy sauce from China. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2022.113993] |
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| 15. Fengchuan Yu, Yajun Bai, Tai-ping Fan, Xiaohui Zheng, Yujie Cai. (2019) Alcohol dehydrogenases from Proteus mirabilis contribute to alcoholic flavor. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 99 (8): (4123-4128). [PMID:30761541] [10.1002/jsfa.9642] |
| 16. Ning Xu, Yaqi Liu, Yong Hu, Mengzhou Zhou, Chao Wang, Dongsheng Li. (2016) Autolysis of Aspergillus oryzae Mycelium and Effect on Volatile Flavor Compounds of Soy Sauce. JOURNAL OF FOOD SCIENCE, 81 (8): (C1883). [PMID:27464006] [10.1111/1750-3841.13396] |
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