1-苯乙基异丁酸酯(CAS 7775-39-5):分子式 C12H16O2、分子量 192.25。
| CAS号 | 7775-39-5 |
|---|---|
| 分子式 | C12H16O2 |
| 分子量 | 192.25 |
| 沸点 | 219 °C; 80 °C (3 mm Hg) |
| LogP | 3.1 |
1-苯乙基异丁酸酯 是一种化工化合物,登记 CAS 号为 7775-39-5,分子式 C12H16O2(分子量 192.25)。
登记 CAS 号:7775-39-5
其分子式 C12H16O2 由 12 个碳、16 个氢、2 个氧 组成。
别名/同义词:1-苯乙基异丁酸酯 · 1-phenylethyl isobutyrate
1-苯乙基异丁酸酯 的 CAS 登记号为 7775-39-5。
分子式 C12H16O2,分子量 192.25。
别名/同义词:1-苯乙基异丁酸酯、1-phenylethyl isobutyrate。
1-苯乙基异丁酸酯(CAS 7775-39-5)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 7775-39-5 |
|---|---|
| PubChem CID | 569214 |
| Molecular formula | C12H16O2 |
| IUPAC name | 1-phenylethyl 2-methylpropanoate |
| UNII (FDA) | K9REG8PIWP |
| FEMA number | 2687 |
| JECFA number | 804 |
| Molecular Weight | 192.25 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 192.115029749 |
| Monoisotopic Mass | 192.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 219 °C; 80 °C (3 mm Hg) |
|---|---|
| Density | 0.977-0.983 |
| Refractive Index | 1.480-1.486 |
7775-39-5; 1-phenylethyl 2-methylpropanoate; alpha-Methylbenzyl isobutyrate; Propanoic acid, 2-methyl-, 1-phenylethyl ester; K9REG8PIWP; FEMA No. 2687; Methylphenylcarbinyl isobutyrate; alpha-Methylbenzyl 2-methylpropanoate; Isobutyric acid, alpha-methylbenzyl ester; DTXSID50864119; RefChem:555863; DTXCID80812668; 1-Phenylethyl isobutyrate; Styralyl isobutyrate; UNII-K9REG8PIWP; 1-Phenyl-1-ethyl isobutyrate
| 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 |
|---|---|
| GHS notification summary | 100% (91 / 91) |
| GHS notification summary | 100% (91 / 91) |
|---|
This chemical does not meet GHS hazard criteria for 100% (91 of 91) of all reports.
Reported as not meeting GHS hazard criteria by 91 of 91 companies. For more detailed information, please visit ECHA C&L website.
1-phenylethyl isobutyrate · CAS 7775-39-5 · C12H16O2. UNII K9REG8PIWP. Boiling Point: 219 °C; 80 °C (3 mm Hg); Density: 0.977-0.983; Refractive Index: 1.480-1.486.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 1-phenylethyl isobutyrate