甲基丁酸己烯酯（CAS 53398-85-9）：分子式 C11H20O2、分子量 184.27。
| CAS号 | 53398-85-9 |
|---|---|
| 分子式 | C11H20O2 |
| 分子量 | 184.27 |
| 沸点 | 95.00 °C. @ 30.00 mm Hg |
| LogP | 3.3 |
甲基丁酸己烯酯 是一种化工化合物，登记 CAS 号为 53398-85-9，分子式 C11H20O2（分子量 184.27）。
登记 CAS 号：53398-85-9
其分子式 C11H20O2 由 11 个碳、20 个氢、2 个氧 组成。
别名/同义词：甲基丁酸己烯酯 · Methylbutyricacidcishexenylester · 3-Hexenyl 2-methylbutanoate
甲基丁酸己烯酯 的 CAS 登记号为 53398-85-9。
分子式 C11H20O2，分子量 184.27。
别名/同义词：甲基丁酸己烯酯、Methylbutyricacidcishexenylester、3-Hexenyl 2-methylbutanoate。
甲基丁酸己烯酯（CAS 53398-85-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 53398-85-9 |
|---|---|
| PubChem CID | 5365069 |
| Molecular formula | C11H20O2 |
| Molecular weight | 184.15 g/mol |
| IUPAC name | [(Z)-hex-3-enyl] 2-methylbutanoate |
| InChIKey | JKKGTSUICJWEKB-SREVYHEPSA-N |
| UNII (FDA) | N181NM2UXZ |
| ChEBI ID | CHEBI:172040 |
| FEMA number | 3497 |
| JECFA number | 211 |
| Molecular Weight | 184.27 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 184.146329876 |
| Monoisotopic Mass | 184.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 95.00 °C. @ 30.00 mm Hg |
|---|---|
| Boiling Point | 212 °C |
| Density | 0.876-0.880 |
| Refractive Index | 1.428-1.434 |
53398-85-9; cis-3-Hexenyl 2-methylbutanoate; (Z)-3-Hexenyl 2-methylbutyrate; cis-3-Hexenyl 2-methylbutyrate; (Z)-Hex-3-enyl 2-methylbutyrate; (3Z)-hex-3-en-1-yl 2-methylbutanoate; FEMA No. 3497; Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester; N181NM2UXZ; 3-Hexenyl 2-methylbutyrate, (3Z)-; Hex-3-enyl 2-methylbutyrate; 3-Hexenyl 2-methylbutanoate; Butanoic acid, 2-methyl-, 3-hexenyl ester, (Z)-; Butanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester; (Z)-3-Hexenyl 2-methylbutanoate; EINECS 233-224-4
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/52 |
|---|---|
| GHS notification summary | 75.8% (141 / 186) |
| GHS notification summary | 75.8% (141 / 186) |
|---|---|
| Reported hazard statements | H411 (23.1%) |
This chemical does not meet GHS hazard criteria for 75.8% (141 of 186) of all reports.
H411 (23.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
3-Hexenyl 2-methylbutanoate is identified by CAS 53398-85-9, molecular formula C11H20O2 and molecular weight 184.15 g/mol. UNII N181NM2UXZ; ChEBI 172040; InChIKey JKKGTSUICJWEKB-SREVYHEPSA-N. Boiling Point: 95.00 °C. @ 30.00 mm Hg; Boiling Point: 212 °C; Density: 0.876-0.880.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Methylbutyricacidcishexenylester