丙酸己酯（CAS 2445-76-3）：分子式 C9H18O2、分子量 158.24。
| CAS号 | 2445-76-3 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| 熔点 | -57.5 °C |
| 沸点 | 73.00 to 74.00 °C. @ 10.00 mm Hg |
| LogP | 2.9 |
丙酸己酯 是一种化工化合物，登记 CAS 号为 2445-76-3，分子式 C9H18O2（分子量 158.24）。
登记 CAS 号：2445-76-3
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词：丙酸己酯 · HEXYL PROPIONATE
丙酸己酯 的 CAS 登记号为 2445-76-3。
分子式 C9H18O2，分子量 158.24。
别名/同义词：丙酸己酯、HEXYL PROPIONATE。
丙酸己酯（CAS 2445-76-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 2445-76-3 |
|---|---|
| PubChem CID | 88454 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | hexyl propanoate |
| InChIKey | GOKKOFHHJFGZHW-UHFFFAOYSA-N |
| UNII (FDA) | 8R2W3UA8JV |
| ChEBI ID | CHEBI:87549 |
| FEMA number | 2576 |
| JECFA number | 144 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 73.00 to 74.00 °C. @ 10.00 mm Hg |
|---|---|
| Boiling Point | 180 °C |
| Melting Point | -57.5 °C |
| Density | 0.863-0.874 |
| Refractive Index | 1.409-1.415 |
Hexyl propionate; Hexyl propanoate; Propanoic acid, hexyl ester; 1-Hexyl propionate; 1-Hexyl propanoate; Propionic acid, hexyl ester; n-Hexyl propionate; FEMA No. 2576; Hexyl propionate (natural); UNII-8R2W3UA8JV; 8R2W3UA8JV; n-Hexyl n-propionate; EINECS 219-495-1; DTXSID5047582; BRN 1752269; AI3-33593
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 92.9% (276 / 297) |
| GHS notification summary | 92.9% (276 / 297) |
|---|
This chemical does not meet GHS hazard criteria for 92.9% (276 of 297) of all reports.
Reported as not meeting GHS hazard criteria by 276 of 297 companies (only 7.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
HEXYL PROPIONATE is identified by CAS 2445-76-3, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 8R2W3UA8JV; ChEBI 87549; InChIKey GOKKOFHHJFGZHW-UHFFFAOYSA-N. Boiling Point: 73.00 to 74.00 °C. @ 10.00 mm Hg; Boiling Point: 180 °C; Melting Point: -57.5 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: HEXYL PROPIONATE