苯乙酸己醇酯(CAS 5421-17-0):分子式 C14H20O2、分子量 220.31。
| CAS号 | 5421-17-0 |
|---|---|
| 分子式 | C14H20O2 |
| 分子量 | 220.31 |
| 沸点 | 262 °C |
| LogP | 4.2 |
苯乙酸己醇酯 是一种化工化合物,登记 CAS 号为 5421-17-0,分子式 C14H20O2(分子量 220.31)。
登记 CAS 号:5421-17-0
其分子式 C14H20O2 由 14 个碳、20 个氢、2 个氧 组成。
别名/同义词:苯乙酸己醇酯 · hexyl phenylacetate
苯乙酸己醇酯 的 CAS 登记号为 5421-17-0。
分子式 C14H20O2,分子量 220.31。
别名/同义词:苯乙酸己醇酯、hexyl phenylacetate。
苯乙酸己醇酯(CAS 5421-17-0)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 5421-17-0 |
|---|---|
| PubChem CID | 221691 |
| Molecular formula | C14H20O2 |
| Molecular weight | 220.15 g/mol |
| IUPAC name | hexyl 2-phenylacetate |
| InChIKey | MTAHGWGAEGVCLS-UHFFFAOYSA-N |
| UNII (FDA) | 9OMY0L6TTU |
| ChEBI ID | CHEBI:191568 |
| FEMA number | 3457 |
| JECFA number | 1015 |
| Molecular Weight | 220.31 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 220.146329876 |
| Monoisotopic Mass | 220.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 262 °C |
|---|---|
| Density | 0.970-0.977 |
| Refractive Index | 1.480-1.490 |
Hexyl phenylacetate; hexyl 2-phenylacetate; Benzeneacetic acid, hexyl ester; n-Hexyl phenylacetate; Hexyl benzeneacetate; Hexyl alpha-toluate; Phenylacetic acid hexyl ester; FEMA No. 3457; UNII-9OMY0L6TTU; 9OMY0L6TTU; Acetic acid, phenyl-, hexyl ester; NSC 6652; NSC-6652; EINECS 226-537-2; HEXYL .ALPHA.-TOLUATE; AI3-22219
| 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% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
hexyl phenylacetate is identified by CAS 5421-17-0, molecular formula C14H20O2 and molecular weight 220.15 g/mol. UNII 9OMY0L6TTU; ChEBI 191568; InChIKey MTAHGWGAEGVCLS-UHFFFAOYSA-N. Boiling Point: 262 °C; Density: 0.970-0.977; Refractive Index: 1.480-1.490.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: hexyl phenylacetate