5-methyl-2-phenyl-2-hexenal (CAS 21834-92-4) — formula C13H16O, molecular weight 188.12 g/mol; category organic chemicals.
| CAS Number | 21834-92-4 |
|---|---|
| Molecular Formula | C13H16O |
| Molecular Weight | 188.12 g/mol |
| Boiling Point | 96-100 °C (0.7 mm Hg) |
| LogP | 3.4 |
| Category | Organic Chemicals |
5-methyl-2-phenyl-2-hexenal is a carbon-based organic compound with CAS registry number 21834-92-4 and molecular formula C13H16O (molecular weight 188.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21834-92-4
Its molecular formula C13H16O comprises 13 C, 16 H, 1 O atoms.
Also known as: 5-methyl-2-phenyl-2-hexenal · 可卡醛
Category: organic chemicals
The CAS registry number of 5-methyl-2-phenyl-2-hexenal is 21834-92-4.
Molecular formula C13H16O, molecular weight 188.12 g/mol.
It is also registered under: 5-methyl-2-phenyl-2-hexenal, 可卡醛.
Category: Organic Chemicals.
Independent reference data for 5-methyl-2-phenyl-2-hexenal (CAS 21834-92-4), compiled from public chemistry databases.
| CAS Registry Number | 21834-92-4 |
|---|---|
| PubChem CID | 576026 |
| Molecular formula | C13H16O |
| Molecular weight | 188.12 g/mol |
| IUPAC name | 5-methyl-2-phenylhex-2-enal |
| InChIKey | YURDCJXYOLERLO-UHFFFAOYSA-N |
| UNII (FDA) | 57UW55EC13 |
| JECFA number | 1472 |
| Molecular Weight | 188.26 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 188.120115130 |
| Monoisotopic Mass | 188.120115130 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 14 |
| Boiling Point | 96-100 °C (0.7 mm Hg) |
|---|---|
| Density | 0.970-0.976 |
| Refractive Index | 1.531-1.536 |
5-Methyl-2-phenylhex-2-enal; RefChem:537044; 5-methyl-2-phenyl-hex-2-enal; SCHEMBL891499; CHEMBL3188243; YURDCJXYOLERLO-UHFFFAOYSA-N; AKOS025243420; CID 576026; M1997; NS00012976; NS00084373
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|
| Reported hazard statements | H317 (97%) |
|---|
H317 (97%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
5-methyl-2-phenyl-2-hexenal is identified by CAS 21834-92-4, molecular formula C13H16O and molecular weight 188.12 g/mol. UNII 57UW55EC13; InChIKey YURDCJXYOLERLO-UHFFFAOYSA-N. Boiling Point: 96-100 °C (0.7 mm Hg); Density: 0.970-0.976; Refractive Index: 1.531-1.536.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 可卡醛