2-苯基-2-丁烯醛,(E)+(Z), 97%（CAS 4411-89-6）：分子式 C10H10O、分子量 146.19。
| CAS号 | 4411-89-6 |
|---|---|
| 分子式 | C10H10O |
| 分子量 | 146.19 |
| 沸点 | 177 °C (15 mm Hg) |
| LogP | 2.2 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Benzeneacetaldehyde、.alpha.-ethylidene-: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Benzeneacetaldehyde、.alpha.-ethylidene-: ACTIVE。
2-苯基-2-丁烯醛,(E)+(Z), 97% 是一种化工化合物，登记 CAS 号为 4411-89-6，分子式 C10H10O（分子量 146.19）。
登记 CAS 号：4411-89-6
其分子式 C10H10O 由 10 个碳、10 个氢、1 个氧 组成。
别名/同义词：2-苯基-2-丁烯醛,(E)+(Z), 97% · 2-phenyl-2-butenal
2-苯基-2-丁烯醛,(E)+(Z), 97% 的 CAS 登记号为 4411-89-6。
分子式 C10H10O，分子量 146.19。
别名/同义词：2-苯基-2-丁烯醛,(E)+(Z), 97%、2-phenyl-2-butenal。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Benzeneacetaldehyde、.alpha.-ethylidene-: ACTIVE。
2-苯基-2-丁烯醛,(E)+(Z), 97%（CAS 4411-89-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 4411-89-6 |
|---|---|
| PubChem CID | 20446 |
| Molecular formula | C10H10O |
| Molecular weight | 146.07 g/mol |
| IUPAC name | 2-phenylbut-2-enal |
| InChIKey | DYAOGZLLMZQVHY-UHFFFAOYSA-N |
| UNII (FDA) | E8991Q8HSC |
| FEMA number | 3224 |
| JECFA number | 1474 |
| Molecular Weight | 146.19 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 146.073164938 |
| Monoisotopic Mass | 146.073164938 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 11 |
| Boiling Point | 177 °C (15 mm Hg) |
|---|---|
| Density | 1.031-1.037 |
| Refractive Index | 1.558-1.564 |
2-PHENYL-2-BUTENAL; 4411-89-6; Benzeneacetaldehyde, alpha-ethylidene-; DTXSID20863391; Crotonaldehyde, 2-phenyl-; FEMA No. 3224; E8991Q8HSC; RefChem:117355; DTXCID30812017; 224-567-0; 2-Phenylcrotonaldehyde; alpha-Phenylcrotonaldehyde; 2-phenylbut-2-enal; Benzeneacetaldehyde, .alpha.-ethylidene-; 2-phenyl-but-2-enal; SCHEMBL262668
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Cocoa, Roast, Rum No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 48.4% (78 / 161) |
| GHS notification summary | 48.4% (78 / 161) |
|---|---|
| Reported hazard statements | H315 (51.6%), H319 (51.6%), H335 (28.6%) |
This chemical does not meet GHS hazard criteria for 48.4% (78 of 161) of reports.
H315 (51.6%): Causes skin irritation [Warning Skin corrosion/irritation]
2-phenyl-2-butenal is identified by CAS 4411-89-6, molecular formula C10H10O and molecular weight 146.07 g/mol. UNII E8991Q8HSC; InChIKey DYAOGZLLMZQVHY-UHFFFAOYSA-N. Boiling Point: 177 °C (15 mm Hg); Density: 1.031-1.037; Refractive Index: 1.558-1.564.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-phenyl-2-butenal