天然苯乙醛(CAS 122-78-1):分子式 C8H8O、分子量 120.15;类别 医药中间体。
| CAS号 | 122-78-1 |
|---|---|
| 分子式 | C8H8O |
| 分子量 | 120.15 |
| 熔点 | 33.5 |
| 沸点 | 195 |
| LogP | 1.78 |
| 类别 | 医药中间体 |
天然苯乙醛 是一种化工化合物,登记 CAS 号为 122-78-1,分子式 C8H8O(分子量 120.15),归属于医药中间体大类化工原料。
登记 CAS 号:122-78-1
其分子式 C8H8O 由 8 个碳、8 个氢、1 个氧 组成。
别名/同义词:天然苯乙醛 · Phenylacetaldehyde
所属分类:医药中间体
天然苯乙醛 的 CAS 登记号为 122-78-1。
分子式 C8H8O,分子量 120.15。
别名/同义词:天然苯乙醛、Phenylacetaldehyde。
所属分类:医药中间体。
天然苯乙醛(CAS 122-78-1)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 122-78-1 |
|---|---|
| PubChem CID | 998 |
| Molecular formula | C8H8O |
| Molecular weight | 120.06 g/mol |
| IUPAC name | 2-phenylacetaldehyde |
| InChIKey | DTUQWGWMVIHBKE-UHFFFAOYSA-N |
| UNII (FDA) | U8J5PLW9MR |
| ChEBI ID | CHEBI:16424 |
| FEMA number | 2874 |
| JECFA number | 1002 |
| Molecular Weight | 120.15 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 120.057514874 |
| Monoisotopic Mass | 120.057514874 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 195 |
|---|---|
| Boiling Point | 195 °C |
| Melting Point | 33.5 |
| Melting Point | 120.5 - 121.5 °C |
| Density | 1.023-1.045 |
| Vapor Pressure | 0.39 [mmHg] |
| LogP | 1.78 |
| Refractive Index | 1.524-1.545 |
phenylacetaldehyde; 2-phenylacetaldehyde; 122-78-1; Benzeneacetaldehyde; 2-Phenylethanal; alpha-Tolualdehyde; Phenylethanal; Phenylacetic aldehyde; alpha-Toluic aldehyde; Oxophenylethane; Acetaldehyde, phenyl-; Benzylcarboxaldehyde; 1-Oxo-2-phenylethane; Phenacetaldehyde; alpha-Phenylacetaldehyde; FEMA No. 2974
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Berry, Geranium, Honey, Nut, Pungent No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (99.8%), H314 (80%), H317 (96.8%), H318 (78.6%) |
|---|
H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Phenylacetaldehyde is identified by CAS 122-78-1, molecular formula C8H8O and molecular weight 120.06 g/mol. UNII U8J5PLW9MR; ChEBI 16424; InChIKey DTUQWGWMVIHBKE-UHFFFAOYSA-N. Boiling Point: 195; Boiling Point: 195 °C; Melting Point: 33.5.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Phenylacetaldehyde