异戊酸丁酯（CAS 109-19-3）：分子式 C9H18O2、分子量 158.24。
| CAS号 | 109-19-3 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| 沸点 | 150 °C |
| LogP | 2.6 |
| 应用领域 | Uses: Reportedly present in the oils of two Australian plants、Used as flavoring ingredient、[HSDB]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、3-methyl-、butyl ester: ACTIVE |
登记用途：Uses: Reportedly present in the oils of two Australian plants、Used as flavoring ingredient、[HSDB]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、3-methyl-、butyl ester: ACTIVE。
异戊酸丁酯 是一种化工化合物，登记 CAS 号为 109-19-3，分子式 C9H18O2（分子量 158.24）。
登记 CAS 号：109-19-3
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词：异戊酸丁酯 · butyl isovalerate
异戊酸丁酯 的 CAS 登记号为 109-19-3。
分子式 C9H18O2，分子量 158.24。
别名/同义词：异戊酸丁酯、butyl isovalerate。
登记用途：Uses: Reportedly present in the oils of two Australian plants、Used as flavoring ingredient、[HSDB]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、3-methyl-、butyl ester: ACTIVE。
异戊酸丁酯（CAS 109-19-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 109-19-3 |
|---|---|
| PubChem CID | 7981 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | butyl 3-methylbutanoate |
| InChIKey | AYWJSCLAAPJZEF-UHFFFAOYSA-N |
| UNII (FDA) | 4UX6V9QM2J |
| ChEBI ID | CHEBI:89723 |
| FEMA number | 2218 |
| JECFA number | 198 |
| 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 | 150 °C |
|---|---|
| Boiling Point | 174.00 to 175.00 °C. @ 760.00 mm Hg |
| Boiling Point | 175 °C |
| Flash Point | 53 °C |
| Density | 0.87 |
| Density | 0.856-0.859 |
| Vapor Density | 5.45 |
| Refractive Index | 1.407-1.411 |
BUTYL ISOVALERATE; Butyl 3-methylbutanoate; Butyl isopentanoate; n-Butyl isovalerate; 1-Butyl isovalerate; Butyl isovalerianate; Butyl 3-methylbutyrate; Butanoic acid, 3-methyl-, butyl ester; Isovaleric acid, butyl ester; n-Butyl isopentanoate; n-Butyl 3-methylbutanoate; FEMA No. 2218; Butyl isovalerate (natural); 4UX6V9QM2J; n-Butyl iso-valerate; NSC 6187
| 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 |
|---|
| Reported hazard statements | H226 (97.4%) |
|---|
H226 (97.4%): 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)
butyl isovalerate is identified by CAS 109-19-3, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 4UX6V9QM2J; ChEBI 89723; InChIKey AYWJSCLAAPJZEF-UHFFFAOYSA-N. Boiling Point: 150 °C; Boiling Point: 174.00 to 175.00 °C. @ 760.00 mm Hg; Boiling Point: 175 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: butyl isovalerate