异戊酸丙酯（CAS 557-00-6）：分子式 C8H16O2、分子量 144.21。
| CAS号 | 557-00-6 |
|---|---|
| 分子式 | C8H16O2 |
| 分子量 | 144.21 |
| 沸点 | 156.00 to 157.00 °C. @ 760.00 mm Hg |
| LogP | 2.3 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
异戊酸丙酯 是一种化工化合物，登记 CAS 号为 557-00-6，分子式 C8H16O2（分子量 144.21）。
登记 CAS 号：557-00-6
其分子式 C8H16O2 由 8 个碳、16 个氢、2 个氧 组成。
别名/同义词：异戊酸丙酯 · PROPYL ISOVALERATE
异戊酸丙酯 的 CAS 登记号为 557-00-6。
分子式 C8H16O2，分子量 144.21。
别名/同义词：异戊酸丙酯、PROPYL ISOVALERATE。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
异戊酸丙酯（CAS 557-00-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 557-00-6 |
|---|---|
| PubChem CID | 11176 |
| Molecular formula | C8H16O2 |
| IUPAC name | propyl 3-methylbutanoate |
| UNII (FDA) | 802KM69CKR |
| FEMA number | 2960 |
| JECFA number | 197 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 |
| Monoisotopic Mass | 144.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 156.00 to 157.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 156-157 °C |
| Density | 0.860 - 0.866 |
| Refractive Index | 1.400 - 1.405 |
PROPYL ISOVALERATE; Propyl 3-methylbutanoate; 557-00-6; Butanoic acid, 3-methyl-, propyl ester; Propyl isopentanoate; Isovaleric acid, propyl ester; Propyl 3-methylbutyrate; Propyl isovalerianate; FEMA No. 2960; n-Propyl iso-valerate; 802KM69CKR; 3-Methylbutanoic acid, propyl ester; EINECS 209-148-2; Propyl isovalerate (natural); BRN 1747146; UNII-802KM69CKR
| 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 |
|---|
| 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)
PROPYL ISOVALERATE · CAS 557-00-6 · C8H16O2. UNII 802KM69CKR. Boiling Point: 156.00 to 157.00 °C. @ 760.00 mm Hg; Boiling Point: 156-157 °C; Density: 0.860 - 0.866.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: PROPYL ISOVALERATE