异丁酸异戊酯（CAS 2050-01-3）：分子式 C9H18O2、分子量 158.24。
| CAS号 | 2050-01-3 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| 沸点 | 168.00 to 171.00 °C. @ 760.00 mm Hg |
| LogP | 2.8 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Propanoic acid、2-methyl-、3-methylbutyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Propanoic acid、2-methyl-、3-methylbutyl ester: ACTIVE。
异丁酸异戊酯 是一种化工化合物，登记 CAS 号为 2050-01-3，分子式 C9H18O2（分子量 158.24）。
登记 CAS 号：2050-01-3
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词：异丁酸异戊酯 · isoamyl isobutyrate
异丁酸异戊酯 的 CAS 登记号为 2050-01-3。
分子式 C9H18O2，分子量 158.24。
别名/同义词：异丁酸异戊酯、isoamyl isobutyrate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Propanoic acid、2-methyl-、3-methylbutyl ester: ACTIVE。
异丁酸异戊酯（CAS 2050-01-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 2050-01-3 |
|---|---|
| PubChem CID | 519786 |
| Molecular formula | C9H18O2 |
| IUPAC name | 3-methylbutyl 2-methylpropanoate |
| UNII (FDA) | RF0ZT103EG |
| FEMA number | 3507 |
| JECFA number | 49 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 168.00 to 171.00 °C. @ 760.00 mm Hg |
|---|
Isoamyl isobutyrate; Isopentyl isobutyrate; 2050-01-3; 3-Methylbutyl 2-methylpropanoate; Propanoic acid, 2-methyl-, 3-methylbutyl ester; 3-Methylbutyl isobutyrate; Isoamyl 2-methylpropanoate; Isobutyric acid, isopentyl ester; Isopentyl 2-methylpropanoate; 3-Methyl-1-butyl isobutyrate; Isopentyl alcohol, isobutyrate; RF0ZT103EG; FEMA No. 3507; DTXSID0062131; CHEBI:87537; RefChem:791549
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 868-JECFA 46/23 |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
isoamyl isobutyrate · CAS 2050-01-3 · C9H18O2. UNII RF0ZT103EG. Boiling Point: 168.00 to 171.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: isoamyl isobutyrate