Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 192 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)CC(=O)O |
|---|---|
| IUPAC Name | 3-methylbutanoic acid |
| InChIKey | GWYFCOCPABKNJV-UHFFFAOYSA-N |
| INCHI | 1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| Isómeros SMILES | CC(C)CC(=O)O |
| WGK Alemania | 1 |
| RTECS | NY1400000 |
| Número ONU | 2810 |
| Grupo de embalaje | I |
| Peso molecular | 102.13 |
| Beilstein | 1098522 |
| Reaxy-Rn | 1098522 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098522&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 | Lipids and lipid-like molecules |
| Clase | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Branched fatty acids |
| Direct Parent | Methyl-branched fatty acids |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Methyl-branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. |
| External Descriptors | Branched fatty acids |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | May 07, 2026 | I424338 |
| Índice de refracción | 1.399-1.407 |
|---|---|
| Punto de inflamación (°F) | 70℃ |
| Punto de inflamación (°C) | 70℃ |
| Punto de ebullición (°C) | 176°C |
| Punto de fusión (°C) | -35°C |
| Peso molecular | 102.130 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 102.068 Da |
| Monoisotopic Mass | 102.068 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 66.500 |
| 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 |
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| 2. Yao Li, Hongjia Lu, Chao Liao, Xiong Liu. (2023) Oxidized konjac glucomannan: A safe dietary fiber influencing mouse gut microbiota. Food Chemistry-X, [PMID:38259509] [10.1016/j.fochx.2023.101089] |
| 3. Jiachen Ma, Tian Yuan, Yuqi Gao, Xiaoming Zeng, Zhigang Liu, Jinming Gao. (2023) Torreya grandis oil attenuates cognitive impairment in scopolamine-induced mice. Food & Function, 14 (23): (10520-10534). [PMID:37946597] [10.1039/D3FO03800A] |
| 4. Dongpeng Wang, Yan Dong, Ying Xie, Yangxin Xiao, Chang Ke, Kun Shi, Zhongshi Zhou, Jiyuan Tu, Linghang Qu, Yanju Liu. (2023) Atractylodes lancea Rhizome Polysaccharide Alleviates Immunosuppression and Intestinal Mucosal Injury in Mice Treated with Cyclophosphamide. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:37861444] [10.1021/acs.jafc.3c05173] |
| 5. Yu-Heng Mao, Minghan Wang, Yu Yuan, Jing-Kun Yan, Yanqun Peng, Guoqin Xu, Xiquan Weng. (2023) Konjac Glucomannan Counteracted the Side Effects of Excessive Exercise on Gut Microbiome, Endurance, and Strength in an Overtraining Mice Model. Nutrients, 15 (19): (4206). [PMID:37836491] [10.3390/nu15194206] |
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| 17. Linlin Gao, Lin Zhang, Huan Liu, Jielun Hu. (2023) In vitro gastrointestinal digestion of whole grain noodles supplemented with soluble dietary fiber and their effects on children fecal microbiota. Food Bioscience, [PMID:] [10.1016/j.fbio.2023.102600] |
| 18. Yao Li, Ting Gong, Hongjia Lu, Senquan Ma, Xiong Liu. (2023) In vitro fermentation characteristics of oxidized konjac glucomannan and its modulation effects on gut microbiota. FOOD HYDROCOLLOIDS, [PMID:] [10.1016/j.foodhyd.2023.108693] |
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| 37. Guopeng Li, Shugang Li, Huanhuan Liu, Lihua Zhang, Jingzhu Gao, Siteng Zhang, Yue Zou, Xiaodong Xia, Xiaomeng Ren. (2022) Isinglass Polysaccharides Regulate Intestinal-Barrier Function and Alleviate Obesity in High-Fat Diet Mice through the HO-1/Nrf2 Pathway and Intestinal Microbiome Environment. Nutrients, 14 (19): (3928). [PMID:36235584] [10.3390/nu14193928] |
| 38. Yajuan Bai, Yue Zhou, Ruifen Zhang, Yanxia Chen, Fengzhong Wang, Mingwei Zhang. (2022) Gut microbial fermentation promotes the intestinal anti-inflammatory activity of Chinese yam polysaccharides. FOOD CHEMISTRY, [PMID:36152553] [10.1016/j.foodchem.2022.134003] |
| 39. Xiang Li, Yan Du, Chengping Zhang, Zhaoxin Tu, Li Wang. (2022) Modified highland barley regulates lipid metabolism, liver inflammation and gut microbiota in high-fat/cholesterol diet mice as revealed by LC-MS based metabonomics. Food & Function, 13 (17): (9119-9142). [PMID:35950689] [10.1039/D2FO00882C] |
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| 44. Anum Khan, Huma Ali, Ubaid Ur Rehman, Ali Osman Belduz, Amna Bibi, Mujib Abdulkadir Abdurahman, Aamer Ali Shah, Malik Badshah, Fariha Hasan, Ali Osman Kilic, Asad Ullah, Sarwat Jahan, Muhammad Maqsood Ur Rehman, Rashid Mansoor, Samiullah Khan. (2022) Prebiotic potential of enzymatically prepared resistant starch in reshaping gut microbiota and their respond to body physiology. PLoS One, 17 (5): (e0267318). [PMID:35576192] [10.1371/journal.pone.0267318] |
| 45. Guijie Chen, Mingjia Wang, Ziqi Zeng, Minhao Xie, Weiqi Xu, Yujia Peng, Wangting Zhou, Yi Sun, Xiaoxiong Zeng, Zhonghua Liu. (2022) Fuzhuan brick tea polysaccharides serve as a promising candidate for remodeling the gut microbiota from colitis subjects in vitro: Fermentation characteristic and anti-inflammatory activity. FOOD CHEMISTRY, [PMID:35597036] [10.1016/j.foodchem.2022.133203] |
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| 48. Xiaoxu Cheng, Zifeng Pi, Zhong Zheng, Shu Liu, Fengrui Song, Zhiqiang Liu. (2022) Combined 16S rRNA gene sequencing and metabolomics to investigate the protective effects of Wu-tou decoction on rheumatoid arthritis in rats. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, [PMID:35447521] [10.1016/j.jchromb.2022.123249] |
| 49. Yu-Heng Mao, Yixuan Xu, Fenglin Song, Zhao-Mei Wang, Yan-Heng Li, Mingzhu Zhao, Fang He, Zezhong Tian, Yan Yang. (2022) Protective effects of konjac glucomannan on gut microbiome with antibiotic perturbation in mice. CARBOHYDRATE POLYMERS, [PMID:35550768] [10.1016/j.carbpol.2022.119476] |
| 50. Qing Ge, Hang-qing Li, Zhe-yuan Zheng, Kai Yang, Peng Li, Zhu-qian Xiao, Guo-ming Xiao, Jian-wei Mao. (2022) In vitro fecal fermentation characteristics of bamboo insoluble dietary fiber and its impacts on human gut microbiota. FOOD RESEARCH INTERNATIONAL, [PMID:35651096] [10.1016/j.foodres.2022.111173] |
| 51. Wenyi Zhang, Bin Hu, Chang Liu, Hanyi Hua, Yahui Guo, Yuliang Cheng, Weirong Yao, He Qian. (2022) Comprehensive analysis of Sparassis crispa polysaccharide characteristics during the in vitro digestion and fermentation model. FOOD RESEARCH INTERNATIONAL, [PMID:35337591] [10.1016/j.foodres.2022.111005] |
| 52. Maohua Chen, Jingjing Zhou, Pan Ran, Fangmei Lei, Jie Meng, Junwu Wei, Xiaohong Li. (2022) Photoactivated Release of Nitric Oxide and Antimicrobial Peptide Derivatives for Synergistic Therapy of Bacterial Skin Abscesses. Advanced Healthcare Materials, 11 (12): (2200199). [PMID:35158416] [10.1002/adhm.202200199] |
| 53. Wenjing Liao, Wenjiao Li, Suyu Liu, Dong Tang, Yunxi Chen, Yijun Wang, Zhongwen Xie, Jinbao Huang. (2022) Potential prebiotic effects of nonabsorptive components of Keemun and Dianhong black tea: an in vitro study. Food Science and Human Wellness, [PMID:] [10.1016/j.fshw.2021.12.022] |
| 54. Kun-Ping Li, Min Yuan, Yong-Lin Wu, Miguel Pineda, Chu-Mei Zhang, Yan-Fen Chen, Zhi-quan Chen, Xiang-Lu Rong, Jeremy E. Turnbull, Jiao Guo. (2022) A High-Fat High-Fructose Diet Dysregulates the Homeostatic Crosstalk Between Gut Microbiome, Metabolome, and Immunity in an Experimental Model of Obesity. MOLECULAR NUTRITION & FOOD RESEARCH, 66 (7): (2100950). [PMID:35072983] [10.1002/mnfr.202100950] |
| 55. Zhiyong Xie, Yixuan Bai, Guijie Chen, Wei Dong, Yujia Peng, Weiqi Xu, Yi Sun, Xiaoxiong Zeng, Zhonghua Liu. (2021) Immunomodulatory activity of polysaccharides from the mycelium of Aspergillus cristatus, isolated from Fuzhuan brick tea, associated with the regulation of intestinal barrier function and gut microbiota. FOOD RESEARCH INTERNATIONAL, [PMID:35181077] [10.1016/j.foodres.2021.110901] |
| 56. Chu Wan, Kaizhang Wu, Xingyu Lu, Fang Fang, Yaqian Li, Yumin Zhao, Shubo Li, Jie Gao. (2021) Integrative Analysis of the Gut Microbiota and Metabolome for In Vitro Human Gut Fermentation Modeling. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:34889098] [10.1021/acs.jafc.1c04259] |
| 57. Yuan-Yuan Yao, Rui Xia, Ya-Lin Yang, Chen-Chen Gao, Feng-Li Zhang, Qiang Hao, Chao Ran, Zhen Zhang, Zhi-Gang Zhou. (2021) Dietary quenching enzyme AiiO-AIO6 promotes fish growth through intestinal microbiota: Zebrafish as a model. Aquaculture Reports, [PMID:] [10.1016/j.aqrep.2021.100947] |
| 58. Mingjie Xu, Jianheng Guo, Tengjie Li, Chunmei Zhang, Xue Peng, Ke Xing, Sheng Qin. (2021) Antibiotic Effects of Volatiles Produced by Bacillus tequilensis XK29 against the Black Spot Disease Caused by Ceratocystis fimbriata in Postharvest Sweet Potato. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:34705454] [10.1021/acs.jafc.1c04585] |
| 59. Qing Liu, Tianzhi Xie, Yujia Xi, Ling Li, Fengfeng Mo, Xuebo Liu, Zhigang Liu, Jin-Ming Gao, Tian Yuan. (2021) Sesamol Attenuates Amyloid Peptide Accumulation and Cognitive Deficits in APP/PS1 Mice: The Mediating Role of the Gut–Brain Axis. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:34669408] [10.1021/acs.jafc.1c04687] |
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