己酸异丙酯（CAS 2311-46-8）：分子式 C9H18O2、分子量 158.24。
| CAS号 | 2311-46-8 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| 沸点 | 172.00 to 173.00 °C. @ 760.00 mm Hg |
| LogP | 2.8 |
己酸异丙酯 是一种化工化合物，登记 CAS 号为 2311-46-8，分子式 C9H18O2（分子量 158.24）。
登记 CAS 号：2311-46-8
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词：己酸异丙酯 · isopropyl caproate
己酸异丙酯 的 CAS 登记号为 2311-46-8。
分子式 C9H18O2，分子量 158.24。
别名/同义词：己酸异丙酯、isopropyl caproate。
己酸异丙酯（CAS 2311-46-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 2311-46-8 |
|---|---|
| PubChem CID | 16832 |
| Molecular formula | C9H18O2 |
| IUPAC name | propan-2-yl hexanoate |
| UNII (FDA) | 84AO2UI60U |
| FEMA number | 2950 |
| JECFA number | 308 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 172.00 to 173.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 176 °C |
| Density | 0.854-0.860 (20 °C) |
| Refractive Index | 1.405 |
ISOPROPYL HEXANOATE; n-Caproic acid isopropyl ester; Isopropyl caproate; propan-2-yl hexanoate; Hexanoic acid, 1-methylethyl ester; Hexanoic acid, isopropyl ester; Isopropyl hexylate; 1-Methylethyl hexanoate; Isopropyl capronate; iso-Propyl n-hexanoate; FEMA No. 2950; UNII-84AO2UI60U; 84AO2UI60U; n-C5H11C(O)OCH(CH3)2; EINECS 219-000-9; WE(2:0(1Me)/6:0)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fresh No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 9.3% (135 / 1449) |
| GHS notification summary | 9.3% (135 / 1449) |
|---|---|
| Reported hazard statements | H226 (90.7%) |
This chemical does not meet GHS hazard criteria for 9.3% (135 of 1449) of reports.
H226 (90.7%): Flammable liquid and vapor [Warning Flammable liquids]
isopropyl caproate · CAS 2311-46-8 · C9H18O2. UNII 84AO2UI60U. Boiling Point: 172.00 to 173.00 °C. @ 760.00 mm Hg; Boiling Point: 176 °C; Density: 0.854-0.860 (20 °C).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: isopropyl caproate