苯乙酸辛酯（CAS 122-45-2）：分子式 C16H24O2、分子量 248.36。
| CAS号 | 122-45-2 |
|---|---|
| 分子式 | C16H24O2 |
| 分子量 | 248.36 |
| 沸点 | 315 °C |
| LogP | 5.3 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Benzeneacetic acid、octyl ester: INACTIVE |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Benzeneacetic acid、octyl ester: INACTIVE。
苯乙酸辛酯 是一种化工化合物，登记 CAS 号为 122-45-2，分子式 C16H24O2（分子量 248.36）。
登记 CAS 号：122-45-2
其分子式 C16H24O2 由 16 个碳、24 个氢、2 个氧 组成。
别名/同义词：苯乙酸辛酯 · Octyl phenylacetate
苯乙酸辛酯 的 CAS 登记号为 122-45-2。
分子式 C16H24O2，分子量 248.36。
别名/同义词：苯乙酸辛酯、Octyl phenylacetate。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Benzeneacetic acid、octyl ester: INACTIVE。
苯乙酸辛酯（CAS 122-45-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 122-45-2 |
|---|---|
| PubChem CID | 61050 |
| Molecular formula | C16H24O2 |
| IUPAC name | octyl 2-phenylacetate |
| UNII (FDA) | TDN0NV3W9J |
| FEMA number | 2812 |
| JECFA number | 1017 |
| Molecular Weight | 248.36 |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 248.177630004 |
| Monoisotopic Mass | 248.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 18 |
| Boiling Point | 315 °C |
|---|---|
| Density | 0.950-0.956 |
| Refractive Index | 1.479-1.487 |
Octyl phenylacetate; octyl 2-phenylacetate; BENZENEACETIC ACID, OCTYL ESTER; Octyl alpha-toluate; Octyl benzeneacetate; octyl phenyl acetate; UNII-TDN0NV3W9J; Acetic acid, phenyl-, octyl ester; FEMA No. 2812; TDN0NV3W9J; EINECS 204-545-7; AI3-24153; DTXSID4059542; N-OCTYL PHENYLACETATE [FHFI]; RefChem:167892; N-OCTYL PHENYLACETATE
| 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 | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
Octyl phenylacetate · CAS 122-45-2 · C16H24O2. UNII TDN0NV3W9J. Boiling Point: 315 °C; Density: 0.950-0.956; Refractive Index: 1.479-1.487.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Octyl phenylacetate