2-糠酸辛酯（CAS 39251-88-2）：分子式 C13H20O3、分子量 224.30。
| CAS号 | 39251-88-2 |
|---|---|
| 分子式 | C13H20O3 |
| 分子量 | 224.30 |
| 沸点 | 126.00 to 127.00 °C. @ 1.00 mm Hg |
| LogP | 4.6 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
2-糠酸辛酯 是一种化工化合物，登记 CAS 号为 39251-88-2，分子式 C13H20O3（分子量 224.30）。
登记 CAS 号：39251-88-2
其分子式 C13H20O3 由 13 个碳、20 个氢、3 个氧 组成。
别名/同义词：2-糠酸辛酯 · octyl 2-furoate
2-糠酸辛酯 的 CAS 登记号为 39251-88-2。
分子式 C13H20O3，分子量 224.30。
别名/同义词：2-糠酸辛酯、octyl 2-furoate。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
2-糠酸辛酯（CAS 39251-88-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 39251-88-2 |
|---|---|
| PubChem CID | 62901 |
| Molecular formula | C13H20O3 |
| IUPAC name | octyl furan-2-carboxylate |
| UNII (FDA) | FO88UQ934J |
| FEMA number | 3518 |
| JECFA number | 750 |
| Molecular Weight | 224.30 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 224.14124450 |
| Monoisotopic Mass | 224.14124450 |
| Topological Polar Surface Area | 39.4 |
| Heavy Atom Count | 16 |
| Boiling Point | 126.00 to 127.00 °C. @ 1.00 mm Hg |
|---|---|
| Boiling Point | 126-127 °C (1 mm Hg) |
| Density | 0.984-0.990 |
| Refractive Index | 1.466-1.472 |
Octyl 2-furoate; octyl furan-2-carboxylate; Octyl 2-furancarboxylate; 2-Furancarboxylic acid, octyl ester; UNII-FO88UQ934J; FEMA No. 3518; FO88UQ934J; EINECS 254-378-9; 2-Furancarboxylic acid, n.-octyl ester; OCTYL 2-FUROATE [FHFI]; DTXSID30192503; RefChem:167862; DTXCID00114994; 254-378-9; WVTHGLPXSATJHZ-UHFFFAOYSA-N; 39251-88-2
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory JECFA ADI: 0-0.5 mg/kg bw |
|---|---|
| GHS notification summary | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
octyl 2-furoate · CAS 39251-88-2 · C13H20O3. UNII FO88UQ934J. Boiling Point: 126.00 to 127.00 °C. @ 1.00 mm Hg; Boiling Point: 126-127 °C (1 mm Hg); Density: 0.984-0.990.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: octyl 2-furoate