E2515388计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
有货
为什么选择此级别
精馏级 提供 ≥99.5% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
2-8°C储存。低温运输,DG运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 31 篇同行评审文献引用。
概述
应用
异丁醛已被用于研究工程化 大肠杆菌 中异丁醛的可再生生产。它还被用作 顺式 环辛烯在铁上与环乙酰丙酮化物（acac）/二氧化硅干凝胶络合的环氧化过程中的试剂。
Application
Isobutyraldehyde has been used to investigate the renewable production of isobutyraldehyde from engineered Escherichia coli . It is also used as reagent during the epoxidation of cis -cyclooctene on iron complexed to acetylacetonate (acac)/silica xerogel.
规格
别名
2-甲基丙醛
英文别名
2-methylpropanal (isobutanal) | EN300-19563 | 2-methypropanal | UN 2045 | alpha -methylpropionaldehyde | HSDB 614 | Isobutyraldehyde, dry, 98% | so-Butyl aldehyde | Isobutyraldehyde, 98% | NCGC00091788-02 | 2-Methyl-1-propanal | Isobutyryl aldehyde | Buty
规格或纯度
精馏级, ≥99.5%
英文名称
Isobutyraldehyde
储存条件
2-8°C储存
运输条件
低温运输,DG运输
纯度
≥99.5%
名称和识别符
PubChem SID
EC号
201-149-6
分子类型
小分子
IUPAC Name
2-methylpropanal
INCHI
1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChi Key
AMIMRNSIRUDHCM-UHFFFAOYSA-N
Smiles
CC(C)C=O
Isomeric SMILES
CC(C)C=O
UN Number
Packing Group
II
分子量
72.11
Beilstein号
605330
Reaxy-Rn
605330
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605330&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机氧化合物 |
| 类（Class) | 有机氧化合物 |
| 亚类（Subclass） | 羰基化合物 |
| 中间层级节点（Intermediate Tree Nodes） | 醛类 |
| 直接上位类(Direct Parent) | 短链醛 |
| 其他上位类（Alternative Parents） | 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 脂肪族无环化合物 |
| 取代基（Substituents） | 脂肪族非环化合物 - 烃衍生物 - 有机氧化物 - 短链醛 |
| 描述（Description） | 该化合物属于短链醛类有机化合物。这类醛类化合物碳链长度介于2至5个碳原子之间。 |
| 外部描述符（External Descriptors） | an n-alkanal |
三维结构
交互式化学结构模型
关联靶点（人）
NR3C1
Tclin
Glucocorticoid receptor
(14987 活性数据)
MPO
Tchem
Myeloperoxidase
(1002 活性数据)
Lymphoblastoid cell
(5959 活性数据)
关联靶点（其它种属）
Myzus persicae (1112 活性数据)
Tetranychus urticae (2600 活性数据)
Lactuca sativa (1092 活性数据)
Brevicoryne brassicae (33 活性数据)
Frankliniella occidentalis (90 活性数据)
Pseudococcus affinis (11 活性数据)
Pseudococcus viburni (11 活性数据)
Bemisia (11 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
溶解性
60g/L at25°C
密度
0.79g/mLat 25°C (lit.)
折光率
1.373
闪点(℉)
-11.2 °F
闪点(℃)
-24℃
沸点
64°C
熔点
-65.9°C
分子量
72.110 g/mol
XLogP3
0.800
氢键供体数Hydrogen Bond Donor Count
0
氢键受体数Hydrogen Bond Acceptor Count
1
可旋转键计数Rotatable Bond Count
1
精确质量Exact Mass
72.0575 Da
单同位素质量Monoisotopic Mass
72.0575 Da
拓扑极表面积Topological Polar Surface Area
17.100 Ų
重原子数Heavy Atom Count
5
形式电荷Formal Charge
0
复杂度Complexity
30.600
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
一般危化品
一般危化品
信号词
危险
危险声明
H225: 高度易燃的液体和蒸气
H303: 要是吞了可能有害
H319: 引起严重眼睛刺激
H335: 可能引起呼吸道刺激
H341: 怀疑引起遗传缺陷
H402: 对水生生物有害
预防措施声明
P201: 使用前获取特殊说明
P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。
P202: 在阅读并理解所有安全预防措施之前，不要进行操作。
P233: 保持容器密闭。
P240: 地面/粘结容器和接收设备
P241: 使用防爆的[电气/通风/照明/.../]设备。
P242: 仅使用无火花的工具。
P243: 采取防静电措施
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾
P264: 处理后要彻底洗手。
P271: 仅在室外或通风良好的地方使用。
P273: 避免释放到环境中。
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P312: 打电话给毒物中心或医生。。。如果你觉得不舒服
P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。
P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。
P337+P313: 如仍觉眼刺激：求医/就诊。
P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。
P405: 密闭存放
P403+P233: 存放在通风良好的地方。保持容器密闭。
P403+P235: 存放在通风良好的地方。保持低温。
P501: 将内容物/容器处理到。。。
P304+P340+P312: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。如感觉不适，呼叫急救中心/医生。
WGK Germany
1
RTECS
NQ4025000
Class
3
Merck Index
5154
个人防护装备
Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US)
质检证书（CoA,COO,BSE/TSE 和分析图谱)
技术文档和文章
Distillation Grade Reagents: Definition, Quality Control and Representative Aladdin Products
目录： 阿拉丁试剂的规格、级别和纯度
Application of Aldimine Latent Curing Agents in One-Component Moisture-Curing Polyurethane Systems —— Mechanism of CO₂ Bubble Control and Key Formulation Design Points
目录： 技术文章
此产品的引用文献
引用文献
| 1. Yunzi Feng, Ziming Xie, Mingtao Huang, Xing Tong, Sha Hou, Hoeseng Tin, Mouming Zhao. (2023) Decoding temperature-driven microbial community changes and flavor regulation mechanism during winter fermentation of soy sauce. FOOD RESEARCH INTERNATIONAL, [PMID:38225154] [10.1016/j.foodres.2023.113756] |
| 2. Baorong Chen, Xiaodan Wang, Yumeng Zhang, Wenyuan Zhang, Xiaoyang Pang, Shuwen Zhang, Jing Lu, Jiaping Lv. (2023) Determination and Risk Assessment of Flavor Components in Flavored Milk. Foods, 12 (11): (2151). [PMID:37297397] [10.3390/foods12112151] |
| 3. Zhipeng Zhang, Lu Qian, Jianfeng Cheng, Qingyi Xie, Chunfeng Ma, Guangzhao Zhang. (2023) Room-Temperature Self-Healing Polyurea with High Puncture and Impact Resistances. CHEMISTRY OF MATERIALS, [10.1021/acs.chemmater.2c03782] |
| 4. Li Liu, Yuanhui Zhao, Shixue Lu, Yihuan Liu, Xinxing Xu, Mingyong Zeng. (2023) Metabolomics investigation on the volatile and non-volatile composition in enzymatic hydrolysates of Pacific oyster (Crassostrea gigas). Food Chemistry-X, [PMID:36845524] [10.1016/j.fochx.2023.100569] |
| 5. Qianchun Zhang, Qin Zhou, Yun Wu, Yanxin Li, Fengling Tian, Shan Tang, Li Jiang. (2022) Enhanced cataluminescence sensing of MIL-53(Al)/Sb2SnO5 composites for isobutanol detection. MEASUREMENT SCIENCE and TECHNOLOGY, 34 (2): (025106). [10.1088/1361-6501/ac9d58] |
| 6. Jing Wang, Mengru Li, Hui Wang, Wenjing Huang, Fang Li, Lili Wang, Chi-Tang Ho, Yanyan Zhang, Liang Zhang, Xiaoting Zhai, Xiaochun Wan. (2022) Decoding the Specific Roasty Aroma Wuyi Rock Tea (Camellia sinensis: Dahongpao) by the Sensomics Approach. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:35973132] [10.1021/acs.jafc.2c02249] |
| 7. Xuefei Li, Wei Xie, Fan Bai, Jinlin Wang, Xiaodong Zhou, Ruichang Gao, Xinxing Xu, Yuanhui Zhao. (2021) Influence of thermal processing on flavor and sensory profile of sturgeon meat. FOOD CHEMISTRY, [PMID:34875433] [10.1016/j.foodchem.2021.131689] |
| 8. Xin Geng, Zhengyan Zhao, Hongli Li, David Da Yong Chen. (2021) Tee-Shaped Sample Introduction Device Coupled with Direct Analysis in Real-Time Mass Spectrometry for Gaseous Analytes. ANALYTICAL CHEMISTRY, [PMID:34825821] [10.1021/acs.analchem.1c03281] |
| 9. Shuang Chen, Jialing Lu, Michael Qian, Hongkui He, Anjun Li, Jun Zhang, Xiaomei Shen, Jiangjing Gao, Yan Xu. (2021) Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu). Foods, 10 (11): (2888). [PMID:34829169] [10.3390/foods10112888] |
| 10. Yanhui Zhong, Zhaoxia Shi, Taoxiao Wen, Xiaohua Xiao, Gongke Li, Yufei Hu. (2020) Cataluminescence strategy for rapid identification of sunscreen cosmetics based on its characteristic composition served as catalyst. SENSORS AND ACTUATORS B-CHEMICAL, [10.1016/j.snb.2020.128697] |
| 11. Zhenghong Hu, Pu Jia, Yajun Bai, Tai-ping Fan, Xiaohui Zheng, Yujie Cai. (2019) Characterisation of five alcohol dehydrogenases from Lactobacillus reuteri DSM20016. PROCESS BIOCHEMISTRY, [10.1016/j.procbio.2019.08.010] |
| 12. 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] |
| 13. Xiuquan Jia, Jiping Ma, Min Wang, Xiaofang Li, Jin Gao, Jie Xu. (2016) Alkali α-MnO2/NaxMnO2 collaboratively catalyzed ammoxidation–Pinner tandem reaction of aldehydes. Catalysis Science & Technology, 6 (20): (7429-7436). [10.1039/C6CY00874G] |
| 14. Yuchao Wang, Da Shi, Shengyang Tao, Wentong Song, Hongmin Wang, Xinkui Wang, Guangtao Li, Jieshan Qiu, Min Ji. (2015) A General, Green Chemistry Approach for Immobilization of Inorganic Catalysts in Monolithic Porous Flow-Reactors. ACS Sustainable Chemistry & Engineering, [10.1021/acssuschemeng.5b01541] |
| 15. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao. (2014) Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test. FOOD CHEMISTRY, [PMID:25148982] [10.1016/j.foodchem.2014.06.057] |
| 16. Yangmin Ma, Hao Wu, Jin Zhang, Yanchao Li. (2013) Enantioselective Synthesis and Antimicrobial Activities of Tetrahydro-Β-Carboline Diketopiperazines. CHIRALITY, 25 (10): (656-662). [PMID:23861205] [10.1002/chir.22193] |
| 17. Hao-Jie Bai, Hong-Wei Li, Yi Li, Zhijiu Huang, Sha Liu, Xin-He Duan, Yuqing Wu. (2024) A fluorescence-enhanced method specific for furfural determination in Chinese Baijiu based on luminescent carbon dots and direct surface reaction. TALANTA, [PMID:39116733] [10.1016/j.talanta.2024.126660] |
| 18. Hao Luo, Yongjun Wu, Jing Jin, Lincheng Zhang, Shuoqiu Tong, Cen Li, Qibo Tan, Qiqin Han. (2024) Characterization of key aroma compounds of fried pepper sauce under different pretreatment processes. RSC Advances, 14 (23): (16368-16378). [PMID:38769966] [10.1039/D4RA02343A] |
| 19. Shihao Su, Guojun Lv, Xuyang Zou, Jiangzhang Wang, Chaoyi Zhou, Yan Chen, Jialing Shen, Yangbin Shen, Zhongmin Liu. (2023) Room-temperature tandem conversion of cyclic alkenes into 1,2-diols using molecular oxygen and β-MnO2 heterogeneous catalyst. GREEN CHEMISTRY, [10.1039/D3GC02863A] |
| 20. Ziming Xie, Dequan Zeng, Jingwen Wang, Mouming Zhao, Yunzi Feng. (2023) Dispersive liquid-liquid microextraction coupled with gas chromatography-mass spectrometry (GC-MS) for the determination of soy sauce aroma compounds. FOOD CONTROL, [10.1016/j.foodcont.2023.109838] |
| 21. Liang Dong, Yingmin Hou, Feng Li, Yongzhe Piao, Xiao Zhang, Xiaoyu Zhang, Cheng Li, Changxin Zhao. (2014) Characterization of volatile aroma compounds in different brewing barley cultivars. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 95 (5): (915-921). [PMID:24862930] [10.1002/jsfa.6759] |
| 22. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao. (2013) Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China. FOOD CHEMISTRY, [PMID:24128458] [10.1016/j.foodchem.2013.07.072] |
| 23. Shihao Su, Guojun Lv, Jialing Shen, Fuxin Wang, Lachgar Oussama, Yan Chen, Shengnan Xu. (2025) Pickering Interfacial Tandem Catalysis of Alkenes to 1,2-Diols over Manganese Oxide Catalysts at Room Temperature. ACS Catalysis, [10.1021/acscatal.4c06225] |
| 24. Qianchun Zhang, Jiumei He, Chengcheng Wan, Xixi Long, Zhaoru Ban, Shan Tang, Yanju Chen. (2025) Porous aluminum nitride: A novel cataluminescence sensor for efficient detection of trace isobutyraldehyde. MICROCHEMICAL JOURNAL, [10.1016/j.microc.2025.113013] |
| 25. Qianchun Zhang, Yuxian Zhao, Zhaoru Ban, Li Jiang, Shan Tang. (2024) Synthesis of Mesoporous SiO2 Nanomicrospheres for the Efficient Cataluminescence Sensing of Isobutyraldehyde. ACS Applied Nano Materials, [10.1021/acsanm.4c02931] |
| 26. Meng Tao, Wenli Guo, Jin Liang, Zhengquan Liu. (2024) Unraveling the key cooked off-flavor compounds in thermally sterilized green tea beverages, and masking effect of tea raw material baking. FOOD CHEMISTRY, [PMID:39423534] [10.1016/j.foodchem.2024.141671] |
| 27. Nana Zhao, Xinxing Xu, Shiyuan Dong, Yuanhui Zhao, Tianhong Liu, Li Liu, Yue Zhao, Mingyong Zeng, Kang Liu. (2025) Effects of steam processing on the flavor formation mechanism of male and female mussels. LWT-FOOD SCIENCE AND TECHNOLOGY, [10.1016/j.lwt.2025.117755] |
| 28. Jialu Zhang, Yu Fu, Peng Chen, Bowen Liu, Cuiling Ren. (2025) New silicon nanoparticles for “turn-on” detection of salicylaldehyde in food based on ESIPT mechanism. FOOD CHEMISTRY, [PMID:40440837] [10.1016/j.foodchem.2025.144879] |
| 29. Yuping Liu, Zhipeng Li, Ke Shen, Hua Huang, Xinshuai Zhang. (2025) In vitro reconstitution of the pantothenic acid catabolic pathway in Geobacillus thermodenitrificans NG80-2. BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, [PMID:41183400] [10.1016/j.bbrc.2025.152876] |
| 30. Kaili He, Mouming Zhao, Xing Tong, Yunzi Feng. (2025) Reveal the flavor quality changes of soy sauce during shelf life through metabolomics. FOOD CHEMISTRY, [PMID:41443118] [10.1016/j.foodchem.2025.147650] |
| 31. Shan Tang, Jiumei He, Chengcheng Wan, Li Jiang, Qianchun Zhang. (2026) Unveiling the role of oxygen vacancies: Micropore-rich Ovm-TiO2 nanocatalysts for enhanced cataluminescence detection of isobutyraldehyde. APPLIED SURFACE SCIENCE, [10.1016/j.apsusc.2026.166351] |
溶液计算器
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