| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B111539-5ml |
5ml |
现货  |
|
| 英文别名 | BRN 1754426 | Hexanoic acid, butyl ester | n-Caproic acid n-butyl ester | Butyl caproate (natural) | Butyl ester of hexanoic acid | Q3135039 | Butyl caproate; Butyl hexanoate; NSC 4022; n-Butyl hexanoate | DTXSID8060824 | BUTYL HEXANOATE [USP-RS] | Butyl |
|---|---|
| 规格或纯度 | standard for GC,≥99.5%(GC) |
| 英文名称 | Butyl hexanoate |
| 应用 | 溶剂。有机合成。香料合成。 |
| 储存温度 | 干燥 |
| 运输条件 | 常规运输 |
| 产品介绍 |
能与乙醇和乙醚混溶，不溶于水。 |
| 纯度 | ≥99.5%(GC) |
| EC号 | 210-964-6 |
|---|---|
| IIUPAC Name | butyl hexanoate |
| INCHI | 1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3 |
| InChi Key | RPRPDTXKGSIXMD-UHFFFAOYSA-N |
| Smiles | CCCCCC(=O)OCCCC |
| Isomeric SMILES | CCCCCC(=O)OCCCC |
| 分子量 | 172.26 |
| Reaxy-Rn | 1754426 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754426&ln= |
| 密度 | 0.866 |
|---|---|
| 折光率 | 1.4153 |
| 闪点(℉) | 81 °C |
| 闪点(℃) | 81°C |
| 沸点 | 61-62°C |
| 分子量 | 172.260 g/mol |
| XLogP3 | 3.300 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 2 |
| 可旋转键计数Rotatable Bond Count | 8 |
| 精确质量Exact Mass | 172.146 Da |
| 单同位素质量Monoisotopic Mass | 172.146 Da |
| 拓扑极表面积Topological Polar Surface Area | 26.300 Ų |
| 重原子数Heavy Atom Count | 12 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 110.000 |
| 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 |
| WGK Germany | 2 |
|---|---|
| RTECS | MO6950000 |
| 1. Yu Mu, Jun Huang, Rongqing Zhou, Suyi Zhang, Hui Qin, Hanlan Tang, Qianglin Pan, Huifang Tang. (2023) Characterization of the differences in aroma-active compounds in strong-flavor Baijiu induced by bioaugmented Daqu using metabolomics and sensomics approaches. FOOD CHEMISTRY, 424 (136429). [PMID:37247603] [10.1016/j.foodchem.2023.136429] |
| 2. Yishan Zhou, Hao Qin, Hongye Cheng, Lifang Chen, Bingjian Zhang, Zhiwen Qi. (2021) Reactive extraction for synthesizing long chain ester butyl hexanoate intensified by deep eutectic solvent. CHINESE JOURNAL OF CHEMICAL ENGINEERING, 36 (120). [10.1016/j.cjche.2020.10.005] |
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