丁酸异戊酯(CAS 106-27-4):分子式 C9H18O2、分子量 158.24。
| CAS号 | 106-27-4 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| 熔点 | -73.2 °C |
| 沸点 | 179.00 °C. @ 760.00 mm Hg |
| LogP | 3.250 |
丁酸异戊酯 是一种化工化合物,登记 CAS 号为 106-27-4,分子式 C9H18O2(分子量 158.24)。
登记 CAS 号:106-27-4
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词:丁酸异戊酯 · Isoamyl Butyrate · NATURAL ISOAMYL BUTYRATE
丁酸异戊酯 的 CAS 登记号为 106-27-4。
分子式 C9H18O2,分子量 158.24。
别名/同义词:丁酸异戊酯、Isoamyl Butyrate、NATURAL ISOAMYL BUTYRATE。
丁酸异戊酯(CAS 106-27-4)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 106-27-4 |
|---|---|
| PubChem CID | 7795 |
| Molecular formula | C9H18O2 |
| IUPAC name | 3-methylbutyl butanoate |
| UNII (FDA) | 505AFM77VU |
| FEMA number | 2060 |
| JECFA number | 45 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.6 |
| 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 | 179.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 179 °C |
| Melting Point | -73.2 °C |
| Solubility | 118 mg/L @ 25 °C (exp) |
| Density | 0.861 - 0.866 |
| LogP | 3.250 |
| Refractive Index | 1.409 - 1.414 |
Isoamyl butyrate; Isopentyl butyrate; 106-27-4; 3-Methylbutyl butanoate; Butanoic acid, 3-methylbutyl ester; ISOPENTYL BUTANOATE; Isoamyl butanoate; 3-Methylbutyl butyrate; Butyric acid, isopentyl ester; Isoamyl-n-butyrate; Isopentyl alcohol, butyrate; FEMA No. 2060; 3-Methyl-1-butyl butanoate; DTXSID3042059; 505AFM77VU; NSC-6548
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit JECFA ADI: 0-3 mg/kg bw (1979) |
|---|
| Reported hazard statements | H226 (98.6%), H412 (94.3%) |
|---|
H226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids]
H412 (94.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
NATURAL ISOAMYL BUTYRATE · CAS 106-27-4 · C9H18O2. UNII 505AFM77VU. Boiling Point: 179.00 °C. @ 760.00 mm Hg; Boiling Point: 179 °C; Melting Point: -73.2 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Isoamyl Butyrate