缬草酸异戊酯（CAS 2050-09-1）：分子式 C10H20O2、分子量 172.26。
| CAS号 | 2050-09-1 |
|---|---|
| 分子式 | C10H20O2 |
| 分子量 | 172.26 |
| 沸点 | 185.00 to 186.00 °C. @ 760.00 mm Hg |
| LogP | 3.2 |
缬草酸异戊酯 是一种化工化合物，登记 CAS 号为 2050-09-1，分子式 C10H20O2（分子量 172.26）。
登记 CAS 号：2050-09-1
其分子式 C10H20O2 由 10 个碳、20 个氢、2 个氧 组成。
别名/同义词：缬草酸异戊酯 · isoamyl valerate
缬草酸异戊酯 的 CAS 登记号为 2050-09-1。
分子式 C10H20O2，分子量 172.26。
别名/同义词：缬草酸异戊酯、isoamyl valerate。
缬草酸异戊酯（CAS 2050-09-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 2050-09-1 |
|---|---|
| PubChem CID | 74901 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | 3-methylbutyl pentanoate |
| InChIKey | UBLAMKHIFZBBSS-UHFFFAOYSA-N |
| UNII (FDA) | 7HQJ459H95 |
| ChEBI ID | CHEBI:179541 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 185.00 to 186.00 °C. @ 760.00 mm Hg |
|---|
Isoamyl valerate; 3-Methylbutyl pentanoate; 2050-09-1; Isopentyl valerate; Isopentyl pentanoate; Pentanoic acid, 3-methylbutyl ester; 3-Methylbutyl valerate; 7HQJ459H95; ISOPENTYL ALCOHOL, VALERATE; NSC 7006; NSC-7006; ISOAMYL N-VALERATE; 3-METHYL-1-BUTYL N-VALERATE; DTXSID70174484; EINECS 218-081-8; VALERIC ACID, ISOPENTYL ESTER
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|
| Reported hazard statements | H226 (84%), H411 (98.9%) |
|---|
H226 (84%): Flammable liquid and vapor [Warning Flammable liquids]
H411 (98.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
isoamyl valerate is identified by CAS 2050-09-1, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 7HQJ459H95; ChEBI 179541; InChIKey UBLAMKHIFZBBSS-UHFFFAOYSA-N. Boiling Point: 185.00 to 186.00 °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 valerate