| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| O106929-5ml |
5ml |
现货  |
|
| 别名 | 乙基正戊基甲酮 |
|---|---|
| 英文别名 | 3-Octanone, analytical standard | EAK | 3-OCTANONE [HSDB] | 3-Octanone | 3-OCTANONE [FHFI] | n-AMYL ETHYL KETONE | UNII-79173B4107 | NSC60161 | NSC-60161 | 2-Heptanone, methyl- | Ethyl pentyl ketone | 3-Octanone, >=98%, FG | DTXCID1021954 | methylheptanon |
| 规格或纯度 | Standard for GC, ≥99.5%(GC) |
| 英文名称 | 3-Octanone |
| 运输条件 | 常规运输 |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| EC号 | 203-423-0 |
|---|---|
| 分子类型 | 小分子 |
| IUPAC Name | octan-3-one |
| INCHI | InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 |
| InChi Key | RHLVCLIPMVJYKS-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCC(=O)CC |
| Isomeric SMILES | CCCCCC(=O)CC |
| WGK Germany | 1 |
| RTECS | RH1485000 |
| PubChem CID | 246728 |
| UN Number | 2271 |
| Packing Group | III |
| 分子量 | 128.21 |
| Beilstein号 | 1700021 |
| 密度 | 0.82 |
|---|---|
| 折光率 | 1.414-1.416 |
| 闪点(℉) | 46℃ |
| 闪点(℃) | 46℃ |
| 沸点 | 167-168°C |
| 熔点 | -23°C |
| 分子量 | 128.210 g/mol |
| XLogP3 | 2.300 |
| 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 | 5 |
| 精确质量Exact Mass | 128.12 Da |
| 单同位素质量Monoisotopic Mass | 128.12 Da |
| 拓扑极表面积Topological Polar Surface Area | 17.100 Ų |
| 重原子数Heavy Atom Count | 9 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 76.600 |
| 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 |
| 一般危化品 | 一般危化品 |
|---|---|
| 象形图 | GHS07, GHS02 |
| 信号词 | Warning |
| 危险声明 |
H315: 引起皮肤刺激 H303: 要是吞了可能有害 H226: 易燃液体和蒸气 |
| 预防措施声明 |
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。 P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。 P501: 将内容物/容器处理到。。。 P312: 打电话给毒物中心或医生。。。如果你觉得不舒服 P233: 保持容器密闭。 P240: 地面/粘结容器和接收设备 P264: 处理后要彻底洗手。 P403+P235: 存放在通风良好的地方。保持低温。 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。 P241: 使用防爆的[电气/通风/照明/.../]设备。 P332+P313: 如发生皮肤刺激：求医/就诊。 P242: 仅使用无火花的工具。 P243: 采取防静电措施 |
| WGK Germany | 1 |
| RTECS | RH1485000 |
| Class | 3 |
| Merck Index | 6753 |
| 个人防护装备 | Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter |
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| 6. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang. (2021) Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation. TALANTA, 224 (121914). [PMID:33379116] [10.1016/j.talanta.2020.121914] |
| 7. Zhou Xin, Tan Zhuo, Zhou Qian, Shi Fei, Yao Miaomiao, Wei Baodong, Cheng Shunchang, Ji Shujuan. (2020) Effect of Intermittent Warming on Aroma-Related Esters of ‘Nanguo’ Pears Through Regulation of Unsaturated Fatty Acid Synthesis After Cold Storage. Food and Bioprocess Technology, 13 (7): (1119-1130). [10.1007/s11947-020-02469-y] |
| 8. Shuhao Qin, Lei Dong, Zhuqi Chen, Sicheng Zhang, Guochuan Yin. (2015) Non-redox metal ions can promote Wacker-type oxidations even better than copper(II): a new opportunity in catalyst design. DALTON TRANSACTIONS, 44 (40): (17508-17515). [PMID:26390300] [10.1039/C5DT02612A] |
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| 2. Xiaoqing Ye, Yan Liu, Changbo Peng, Xi Guan, Yi Liu, Zhenming Che, Hongbin Lin, Xu Min, Qi Zhu, Wenwu Ding. (2023) 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, 173 (114188). [10.1016/j.lwt.2022.114188] |
| 3. Xiaojing Zhang, Pei Gao, Wenshui Xia, Qixing Jiang, Shaoquan Liu, Yanshun Xu. (2022) Characterization of key aroma compounds in low-salt fermented sour fish by gas chromatography-mass spectrometry, odor activity values, aroma recombination and omission experiments. FOOD CHEMISTRY, 397 (133773). [PMID:35908468] [10.1016/j.foodchem.2022.133773] |
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| 5. Tian Lan, Chenxu Gao, Quyu Yuan, Jiaqi Wang, Hexin Zhang, Xiangyu Sun, Yushan Lei, Tingting Ma. (2021) Analysis of the Aroma Chemical Composition of Commonly Planted Kiwifruit Cultivars in China. Foods, 10 (7): (1645). [PMID:34359515] [10.3390/foods10071645] |
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| 7. Zhou Xin, Tan Zhuo, Zhou Qian, Shi Fei, Yao Miaomiao, Wei Baodong, Cheng Shunchang, Ji Shujuan. (2020) Effect of Intermittent Warming on Aroma-Related Esters of ‘Nanguo’ Pears Through Regulation of Unsaturated Fatty Acid Synthesis After Cold Storage. Food and Bioprocess Technology, 13 (7): (1119-1130). [10.1007/s11947-020-02469-y] |
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