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。
登记用途：Permitted for use as an inert ingredient in non-food pesticide products、Used in perfumery and as an intermediate in organic synthesis、Used as flavoring agent or adjuvant、This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions、catabolic reactions or waste generation、Fragrance Ingredients。
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。
登记用途：Permitted for use as an inert ingredient in non-food pesticide products、Used in perfumery and as an intermediate in organic synthesis、Used as flavoring agent or adjuvant、This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions、catabolic reactions or waste generation、Fragrance Ingredients。
所属分类：医药中间体。
包装按订单确认，从实验室小包装到吨袋大货，随订单安排而非在页面上写死。每批随货附 COA 分析证书，可另提供 MSDS；若终端用途带有法规限度（食品接触、药品或化妆品），请在询价时说明执行标准，等级按该标准确定。
天然苯乙醛（CAS 122-78-1）的公开数据库记录，列此仅供独立核对。
| 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]
| 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 |
|---|
| 沸点 | 195 |
|---|---|
| 沸点 | 195 °C |
| 熔点 | 33.5 |
| 熔点 | 120.5 - 121.5 °C |
| 密度 | 1.023-1.045 |
| 蒸气压 | 0.39 [mmHg] |
| LogP | 1.78 |
| 折射率 | 1.524-1.545 |
| CAS Registry Number | 122-78-1 |
|---|---|
| PubChem CID | 998 |
| 分子式 | C8H8O |
| 分子量 | 120.06 g/mol |
| IUPAC 名称 | 2-phenylacetaldehyde |
| InChIKey | DTUQWGWMVIHBKE-UHFFFAOYSA-N |
| UNII（FDA） | U8J5PLW9MR |
| ChEBI 编号 | CHEBI:16424 |
| FEMA 编号 | 2874 |
| JECFA 编号 | 1002 |
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
| 分子量 | 120.15 |
|---|---|
| XLogP3 | 1.8 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 2 |
| 精确质量 | 120.057514874 |
| 单同位素质量 | 120.057514874 |
| 拓扑极性表面积 | 17.1 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
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. 沸点: 195; 沸点: 195 °C; 熔点: 33.5.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Phenylacetaldehyde