苯甲酸异戊酯（CAS 94-46-2）：分子式 C12H16O2、分子量 192.25。
| CAS号 | 94-46-2 |
|---|---|
| 分子式 | C12H16O2 |
| 分子量 | 192.25 |
| 沸点 | 261.00 to 262.00 °C. @ 760.00 mm Hg |
| LogP | 4.15 |
苯甲酸异戊酯 是一种化工化合物，登记 CAS 号为 94-46-2，分子式 C12H16O2（分子量 192.25）。
登记 CAS 号：94-46-2
其分子式 C12H16O2 由 12 个碳、16 个氢、2 个氧 组成。
别名/同义词：苯甲酸异戊酯 · Isoamyl benzoate
苯甲酸异戊酯 的 CAS 登记号为 94-46-2。
分子式 C12H16O2，分子量 192.25。
别名/同义词：苯甲酸异戊酯、Isoamyl benzoate。
苯甲酸异戊酯（CAS 94-46-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 94-46-2 |
|---|---|
| PubChem CID | 7193 |
| Molecular formula | C12H16O2 |
| Molecular weight | 192.12 g/mol |
| IUPAC name | 3-methylbutyl benzoate |
| InChIKey | MLLAPOCBLWUFAP-UHFFFAOYSA-N |
| UNII (FDA) | 0AY72CK43K |
| ChEBI ID | CHEBI:179910 |
| FEMA number | 2058 |
| JECFA number | 857 |
| Molecular Weight | 192.25 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.115029749 |
| Monoisotopic Mass | 192.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 261.00 to 262.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 261 °C |
| Density | 0.984-0.992 |
| LogP | 4.15 |
| LogP | 4.1 |
| Refractive Index | 1.491-1.497 |
Isoamyl benzoate; Isopentyl benzoate; 94-46-2; 3-Methylbutyl benzoate; 1-Butanol, 3-methyl-, benzoate; Isopentyl alcohol, benzoate; 1-(3-Methyl)butyl benzoate; 3-Methyl-1-butyl benzoate; BENZOIC ACID, ISOPENTYL ESTER; Benzoic acid, 1-(3-methyl)butyl ester; FEMA No. 2058; Isoamyl benzoate (natural); NSC 9284; 1-Butanol, 3-methyl-, 1-benzoate; DTXSID8047185; EINECS 202-334-4
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Balsamic No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 85.7% (84 / 98) |
| GHS notification summary | 85.7% (84 / 98) |
|---|---|
| Reported hazard statements | H411 (11.2%) |
This chemical does not meet GHS hazard criteria for 85.7% (84 of 98) of all reports.
H411 (11.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Isoamyl benzoate is identified by CAS 94-46-2, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII 0AY72CK43K; ChEBI 179910; InChIKey MLLAPOCBLWUFAP-UHFFFAOYSA-N. Boiling Point: 261.00 to 262.00 °C. @ 760.00 mm Hg; Boiling Point: 261 °C; Density: 0.984-0.992.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Isoamyl benzoate