苯乙基乙酸酯(CAS 55719-85-2):分子式 C13H16O2、分子量 204.26。
| CAS号 | 55719-85-2 |
|---|---|
| 分子式 | C13H16O2 |
| 分子量 | 204.26 |
| 沸点 | 259 °C |
| LogP | 3.3 |
| 应用领域 | Fragrance Ingredients |
登记用途:Fragrance Ingredients。
苯乙基乙酸酯 是一种化工化合物,登记 CAS 号为 55719-85-2,分子式 C13H16O2(分子量 204.26)。
登记 CAS 号:55719-85-2
其分子式 C13H16O2 由 13 个碳、16 个氢、2 个氧 组成。
别名/同义词:苯乙基乙酸酯 · Phenyl Ethyl Tiglate · Phenethyl tiglate
苯乙基乙酸酯 的 CAS 登记号为 55719-85-2。
分子式 C13H16O2,分子量 204.26。
别名/同义词:苯乙基乙酸酯、Phenyl Ethyl Tiglate、Phenethyl tiglate。
登记用途:Fragrance Ingredients。
苯乙基乙酸酯(CAS 55719-85-2)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 55719-85-2 |
|---|---|
| PubChem CID | 5357002 |
| Molecular formula | C13H16O2 |
| Molecular weight | 204.12 g/mol |
| IUPAC name | 2-phenylethyl (E)-2-methylbut-2-enoate |
| InChIKey | KVMWYGAYARXPOL-QDEBKDIKSA-N |
| UNII (FDA) | 121LO7146V |
| ChEBI ID | CHEBI:195940 |
| FEMA number | 2870 |
| JECFA number | 997 |
| Molecular Weight | 204.26 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 204.115029749 |
| Monoisotopic Mass | 204.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 259 °C |
|---|---|
| Density | 1.148-1.159 |
| Refractive Index | 1.494-1.518 |
Phenethyl tiglate; 55719-85-2; Phenylethyl tiglate; Phenethyl 2-methylcrotonate; 2-phenylethyl (E)-2-methylbut-2-enoate; FEMA No. 2870; DTXSID8047684; 2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (2E)-; NSC-69122; 121LO7146V; DTXCID6027684; RefChem:860587; 259-774-5; 2-Phenylethyl tiglate; 2-phenylethyl (2E)-2-methylbut-2-enoate; FEMA 2870
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 99.2% (123 / 124) |
| GHS notification summary | 99.2% (123 / 124) |
|---|
This chemical does not meet GHS hazard criteria for 99.2% (123 of 124) of all reports.
Reported as not meeting GHS hazard criteria by 123 of 124 companies (only 0.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Phenethyl tiglate is identified by CAS 55719-85-2, molecular formula C13H16O2 and molecular weight 204.12 g/mol. UNII 121LO7146V; ChEBI 195940; InChIKey KVMWYGAYARXPOL-QDEBKDIKSA-N. Boiling Point: 259 °C; Density: 1.148-1.159; Refractive Index: 1.494-1.518.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Phenyl Ethyl Tiglate