丁酸正辛酯（CAS 110-39-4）：分子式 C12H24O2、分子量 200.32。
| CAS号 | 110-39-4 |
|---|---|
| 分子式 | C12H24O2 |
| 分子量 | 200.32 |
| 熔点 | -55.6 °C |
| 沸点 | 224.00 to 226.00 °C. @ 760.00 mm Hg |
| LogP | 4.2 |
| 应用领域 | 香精香料、溶剂 |
登记用途：香精香料、溶剂。
丁酸正辛酯 是一种化工化合物，登记 CAS 号为 110-39-4，分子式 C12H24O2（分子量 200.32）。
登记 CAS 号：110-39-4
其分子式 C12H24O2 由 12 个碳、24 个氢、2 个氧 组成。
别名/同义词：丁酸正辛酯 · octyl butyrate
丁酸正辛酯 的 CAS 登记号为 110-39-4。
分子式 C12H24O2，分子量 200.32。
别名/同义词：丁酸正辛酯、octyl butyrate。
登记用途：香精香料、溶剂。
丁酸正辛酯（CAS 110-39-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 110-39-4 |
|---|---|
| PubChem CID | 61030 |
| Molecular formula | C12H24O2 |
| Molecular weight | 200.18 g/mol |
| IUPAC name | octyl butanoate |
| InChIKey | PWLNAUNEAKQYLH-UHFFFAOYSA-N |
| UNII (FDA) | 5YEU4O369L |
| ChEBI ID | CHEBI:89726 |
| FEMA number | 2807 |
| JECFA number | 155 |
| Molecular Weight | 200.32 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 200.177630004 |
| Monoisotopic Mass | 200.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 224.00 to 226.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 244 °C |
| Melting Point | -55.6 °C |
| Density | 0.8549 (30 °C) |
| Refractive Index | 1.421-1.434 |
Octyl butyrate; Octyl butanoate; BUTANOIC ACID, OCTYL ESTER; n-Octyl butyrate; Butyric acid, octyl ester; n-Octyl n-butyrate; n-Octyl butanoate; Octyl butyrate (natural); octylbutyrate; FEMA No. 2807; Caprylyl Butyrate; EINECS 203-762-4; UNII-5YEU4O369L; NSC-72032; 5YEU4O369L; AI3-24204
| 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 | 100% (240 / 240) |
| GHS notification summary | 100% (240 / 240) |
|---|
This chemical does not meet GHS hazard criteria for 100% (240 of 240) of all reports.
Reported as not meeting GHS hazard criteria by 240 of 240 companies. For more detailed information, please visit ECHA C&L website.
octyl butyrate is identified by CAS 110-39-4, molecular formula C12H24O2 and molecular weight 200.18 g/mol. UNII 5YEU4O369L; ChEBI 89726; InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N. Boiling Point: 224.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 244 °C; Melting Point: -55.6 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: octyl butyrate