4-(methylthio)butyraldehyde (CAS 42919-64-2) — formula C5H10OS, molecular weight 118.20; category organic chemicals.
| CAS Number | 42919-64-2 |
|---|---|
| Molecular Formula | C5H10OS |
| Molecular Weight | 118.20 |
| Boiling Point | 112.00 to 115.00 °C. @ 20.00 mm Hg |
| LogP | 0.7 |
| Category | Organic Chemicals |
4-(methylthio)butyraldehyde is a carbon-based organic compound with CAS registry number 42919-64-2 and molecular formula C5H10OS (molecular weight 118.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42919-64-2
Its molecular formula C5H10OS comprises 5 C, 10 H, 1 O, 1 S atoms.
Also known as: 4-(methylthio)butyraldehyde · 4-(甲硫基)丁醛
Category: organic chemicals
The CAS registry number of 4-(methylthio)butyraldehyde is 42919-64-2.
Molecular formula C5H10OS, molecular weight 118.20.
It is also registered under: 4-(methylthio)butyraldehyde, 4-(甲硫基)丁醛.
Category: Organic Chemicals.
Independent reference data for 4-(methylthio)butyraldehyde (CAS 42919-64-2), compiled from public chemistry databases.
| CAS 号 | 42919-64-2 |
|---|---|
| PubChem CID | 62000 |
| 分子式 | C5H10OS |
| IUPAC 名称 | 4-methylsulfanylbutanal |
| UNII（FDA） | 665I2LWS8I |
| FEMA 编号 | 3414 |
| JECFA 编号 | 468 |
| Molecular Weight | 118.20 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 118.04523611 |
| Monoisotopic Mass | 118.04523611 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 7 |
| Boiling Point | 112.00 to 115.00 °C. @ 20.00 mm Hg |
|---|---|
| Boiling Point | 112-115 °C (20 mm Hg) |
| Density | 1.034-1.042 |
| Refractive Index | 1.507-1.513 |
4-(Methylthio)butanal; 4-(methylsulfanyl)butanal; 4-(Methylthio)butyraldehyde; Butanal, 4-(methylthio)-; FEMA No. 3414; gamma-(Methylthio)butyraldehyde; gamma-(Methylmercapto)butyraldehyde; UNII-665I2LWS8I; 665I2LWS8I; EINECS 256-001-3; 4-methyl thiobutyraldehyde; DTXSID40195565; 4-(METHYLTHIO)BUTANAL [FHFI]; .GAMMA.-(METHYLTHIO)BUTYRALDEHYDE; .GAMMA.-(METHYLMERCAPTO)BUTYRALDEHYDE; RefChem:97512
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| 已通报的危害声明 | H227 (100%), H302 (100%), H312 (100%), H315 (100%), H318 (100%), H332 (100%), H335 (100%), H412 (100%) |
|---|
4-(甲硫基)丁醛 · CAS 42919-64-2 · C5H10OS. UNII 665I2LWS8I. Boiling Point: 112.00 to 115.00 °C. @ 20.00 mm Hg; Boiling Point: 112-115 °C (20 mm Hg); Density: 1.034-1.042.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-(甲硫基)丁醛