5-羟基癸酸乙酯(CAS 75587-06-3):分子式 C12H24O3、分子量 216.32。
| CAS号 | 75587-06-3 |
|---|---|
| 分子式 | C12H24O3 |
| 分子量 | 216.32 |
| 沸点 | 280-299 °C |
| LogP | 2.8 |
5-羟基癸酸乙酯 是一种化工化合物,登记 CAS 号为 75587-06-3,分子式 C12H24O3(分子量 216.32)。
登记 CAS 号:75587-06-3
其分子式 C12H24O3 由 12 个碳、24 个氢、3 个氧 组成。
别名/同义词:5-羟基癸酸乙酯 · Ethyl 5-hydroxydecanoate
5-羟基癸酸乙酯 的 CAS 登记号为 75587-06-3。
分子式 C12H24O3,分子量 216.32。
别名/同义词:5-羟基癸酸乙酯、Ethyl 5-hydroxydecanoate。
5-羟基癸酸乙酯(CAS 75587-06-3)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 75587-06-3 |
|---|---|
| PubChem CID | 13580494 |
| Molecular formula | C12H24O3 |
| Molecular weight | 216.17 g/mol |
| IUPAC name | ethyl 5-hydroxydecanoate |
| InChIKey | JZHPHZPSKLWKPM-UHFFFAOYSA-N |
| UNII (FDA) | DF7YX14403 |
| FEMA number | 4444 |
| JECFA number | 1962 |
| Molecular Weight | 216.32 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Exact Mass | 216.17254462 |
| Monoisotopic Mass | 216.17254462 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 15 |
| Boiling Point | 280-299 °C |
|---|---|
| Density | 0.945-0.956 (20 °C) |
| Refractive Index | 1.442-1.452 |
Ethyl 5-hydroxydecanoate; 5-Hydroxydecanoic acid ethyl ester; Decanoic acid, 5-hydroxy-, ethyl ester; FEMA No. 4444; UNII-DF7YX14403; (+-)-Ethyl 5-hydroxydecanoate; DF7YX14403; Ethyl 5-hydroxydecanoate, (+-)-; DTXSID60997023; RefChem:138821; DTXCID001424033; 639-142-9; 75587-06-3; ethyl-5-hydroxydecanoate; orb1986064; SCHEMBL8624262
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/71 |
|---|---|
| GHS notification summary | 6.5% (89 / 1377) |
| GHS notification summary | 6.5% (89 / 1377) |
|---|---|
| Reported hazard statements | H226 (93.5%) |
This chemical does not meet GHS hazard criteria for 6.5% (89 of 1377) of reports.
H226 (93.5%): Flammable liquid and vapor [Warning Flammable liquids]
Ethyl 5-hydroxydecanoate is identified by CAS 75587-06-3, molecular formula C12H24O3 and molecular weight 216.17 g/mol. UNII DF7YX14403; InChIKey JZHPHZPSKLWKPM-UHFFFAOYSA-N. Boiling Point: 280-299 °C; Density: 0.945-0.956 (20 °C); Refractive Index: 1.442-1.452.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Ethyl 5-hydroxydecanoate