2-methyl-2-butenal (CAS 1115-11-3) — formula C5H8O, molecular weight 84.06 g/mol; category organic chemicals.
| CAS Number | 1115-11-3 |
|---|---|
| Molecular Formula | C5H8O |
| Molecular Weight | 84.06 g/mol |
| Boiling Point | 117-118 °C |
| LogP | 0.9 |
| Applications | Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
2-methyl-2-butenal is a carbon-based organic compound with CAS registry number 1115-11-3 and molecular formula C5H8O (molecular weight 84.06 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1115-11-3
Its molecular formula C5H8O comprises 5 C, 8 H, 1 O atoms.
Also known as: 2-methyl-2-butenal · Tiglic aldehyde
Category: organic chemicals
The CAS registry number of 2-methyl-2-butenal is 1115-11-3.
Molecular formula C5H8O, molecular weight 84.06 g/mol.
It is also registered under: 2-methyl-2-butenal, Tiglic aldehyde.
Recorded applications: Use Classification: Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Category: Organic Chemicals.
Independent reference data for 2-methyl-2-butenal (CAS 1115-11-3), compiled from public chemistry databases.
| CAS Registry Number | 1115-11-3 |
|---|---|
| PubChem CID | 10336 |
| Molecular formula | C5H8O |
| Molecular weight | 84.06 g/mol |
| IUPAC name | 2-methylbut-2-enal |
| InChIKey | ACWQBUSCFPJUPN-UHFFFAOYSA-N |
| FEMA number | 3407 |
| JECFA number | 1201 |
| Molecular Weight | 84.12 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 84.057514874 |
| Monoisotopic Mass | 84.057514874 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 6 |
| Boiling Point | 117-118 °C |
|---|---|
| Density | 0.868-0.873 (20 °C) |
| Refractive Index | 1.445-1.450 |
2-methylbut-2-enal; 2-METHYL-2-BUTENAL; 1115-11-3; DTXSID00859414; RefChem:910039; DTXCID70809729; 2-methyl-but-2-enal; 100365-71-7; Crotonaldehyde, 2-methyl-; Butenal, 2-methyl-; (e)-2-methyl-2-butenal; trans-2,3-Dimethylacrolein; trans-2-Methylcrotonaldehyde; SCHEMBL258721; SCHEMBL263323; Butenal, 2-methyl- (9CI)
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 922-JECFA 61/75 FAS 52-JECFA 61/289 |
|---|
2-methyl-2-butenal is identified by CAS 1115-11-3, molecular formula C5H8O and molecular weight 84.06 g/mol. InChIKey ACWQBUSCFPJUPN-UHFFFAOYSA-N. Boiling Point: 117-118 °C; Density: 0.868-0.873 (20 °C); Refractive Index: 1.445-1.450.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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