戊酸丁酯（CAS 591-68-4）：分子式 C9H18O2、分子量 158.24。
| CAS号 | 591-68-4 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| 熔点 | -92.8 °C |
| 沸点 | 185.80 °C. @ 760.00 mm Hg |
| LogP | 3.36 |
戊酸丁酯 是一种化工化合物，登记 CAS 号为 591-68-4，分子式 C9H18O2（分子量 158.24）。
登记 CAS 号：591-68-4
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词：戊酸丁酯 · butyl valerate
戊酸丁酯 的 CAS 登记号为 591-68-4。
分子式 C9H18O2，分子量 158.24。
别名/同义词：戊酸丁酯、butyl valerate。
戊酸丁酯（CAS 591-68-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 591-68-4 |
|---|---|
| PubChem CID | 61137 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | butyl pentanoate |
| InChIKey | OKJADYKTJJGKDX-UHFFFAOYSA-N |
| UNII (FDA) | F93Z6CCM06 |
| ChEBI ID | CHEBI:89761 |
| FEMA number | 2217 |
| JECFA number | 160 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.7 |
| 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 | 185.80 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 186.5 °C |
| Melting Point | -92.8 °C |
| Density | 0.861-0.871(d20/4) |
| LogP | 3.36 |
| Refractive Index | 1.408-1.416 |
Butyl valerate; Butyl pentanoate; PENTANOIC ACID, BUTYL ESTER; FEMA No. 2217; F93Z6CCM06; UNII-F93Z6CCM06; EINECS 209-728-5; BUTYL VALERATE [FHFI]; AI3-30051; BUTYL VALERATE [USP-RS]; DTXSID3060455; FEMA 2217; BUTYL VALERATE (USP-RS); Butyl pentanoic acid; RefChem:122295; DTXCID4042547
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruity No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 6.3% (89 / 1417) |
| GHS notification summary | 6.3% (89 / 1417) |
|---|---|
| Reported hazard statements | H226 (90.8%) |
This chemical does not meet GHS hazard criteria for 6.3% (89 of 1417) of reports.
H226 (90.8%): Flammable liquid and vapor [Warning Flammable liquids]
butyl valerate is identified by CAS 591-68-4, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII F93Z6CCM06; ChEBI 89761; InChIKey OKJADYKTJJGKDX-UHFFFAOYSA-N. Boiling Point: 185.80 °C. @ 760.00 mm Hg; Boiling Point: 186.5 °C; Melting Point: -92.8 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: butyl valerate