2-phenyl-2-butenal (CAS 4411-89-6) — formula C10H10O, molecular weight 146.07 g/mol; category organic chemicals.
| CAS Number | 4411-89-6 |
|---|---|
| Molecular Formula | C10H10O |
| Molecular Weight | 146.07 g/mol |
| Boiling Point | 177 °C (15 mm Hg) |
| LogP | 2.2 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzeneacetaldehyde, .alpha.-ethylidene-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzeneacetaldehyde, .alpha.-ethylidene-: ACTIVE.
2-phenyl-2-butenal is a carbon-based organic compound with CAS registry number 4411-89-6 and molecular formula C10H10O (molecular weight 146.07 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4411-89-6
Its molecular formula C10H10O comprises 10 C, 10 H, 1 O atoms.
Also known as: 2-phenyl-2-butenal · 2-苯基-2-丁烯醛,(E)+(Z), 97%
Category: organic chemicals
The CAS registry number of 2-phenyl-2-butenal is 4411-89-6.
Molecular formula C10H10O, molecular weight 146.07 g/mol.
It is also registered under: 2-phenyl-2-butenal, 2-苯基-2-丁烯醛,(E)+(Z), 97%.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Benzeneacetaldehyde, .alpha.-ethylidene-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-phenyl-2-butenal (CAS 4411-89-6), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-苯基-2-丁烯醛,(E)+(Z), 97%