2-methyl-2-butenal (CAS 1115-11-3) — formula C5H8O, molecular weight 84.06 g/mol; category organic chemicals.
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.
Category: Organic Chemicals.
Public-database records for 2-methyl-2-butenal (CAS 1115-11-3), reproduced here for independent cross-checking.
| 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 |
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| 沸点 | 117-118 °C |
|---|---|
| 密度 | 0.868-0.873 (20 °C) |
| 折射率 | 1.445-1.450 |
| CAS Registry Number | 1115-11-3 |
|---|---|
| PubChem CID | 10336 |
| 分子式 | C5H8O |
| 分子量 | 84.06 g/mol |
| IUPAC 名称 | 2-methylbut-2-enal |
| InChIKey | ACWQBUSCFPJUPN-UHFFFAOYSA-N |
| FEMA 编号 | 3407 |
| JECFA 编号 | 1201 |
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)
| 分子量 | 84.12 |
|---|---|
| XLogP3 | 0.9 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 1 |
| 精确质量 | 84.057514874 |
| 单同位素质量 | 84.057514874 |
| 拓扑极性表面积 | 17.1 |
| 重原子数 | 6 |
| 形式电荷 | 0 |
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. 沸点: 117-118 °C; 密度: 0.868-0.873 (20 °C); Refractive Index: 1.445-1.450.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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