3-(Methylthio) butanal (CAS 16630-52-7) — formula C5H10OS, molecular weight 118.20; category organic chemicals.
| CAS Number | 16630-52-7 |
|---|---|
| Molecular Formula | C5H10OS |
| Molecular Weight | 118.20 |
| Boiling Point | 63.00 to 65.00 °C. @ 10.00 mm Hg |
| LogP | 0.7 |
| Category | Organic Chemicals |
3-(Methylthio) butanal is a carbon-based organic compound with CAS registry number 16630-52-7 and molecular formula C5H10OS (molecular weight 118.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 16630-52-7
Its molecular formula C5H10OS comprises 5 C, 10 H, 1 O, 1 S atoms.
Also known as: 3-(Methylthio) butanal · 3-(甲硫基)丁醛
Category: organic chemicals
The CAS registry number of 3-(Methylthio) butanal is 16630-52-7.
Molecular formula C5H10OS, molecular weight 118.20.
It is also registered under: 3-(Methylthio) butanal, 3-(甲硫基)丁醛.
Category: Organic Chemicals.
Independent reference data for 3-(Methylthio) butanal (CAS 16630-52-7), compiled from public chemistry databases.
| CAS Registry Number | 16630-52-7 |
|---|---|
| PubChem CID | 61845 |
| Molecular formula | C5H10OS |
| IUPAC name | 3-methylsulfanylbutanal |
| UNII (FDA) | 1B27G5W046 |
| FEMA number | 3374 |
| JECFA number | 467 |
| Molecular Weight | 118.20 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 118.04523611 |
| Monoisotopic Mass | 118.04523611 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 7 |
| Boiling Point | 63.00 to 65.00 °C. @ 10.00 mm Hg |
|---|---|
| Boiling Point | 190-192 °C |
| Density | 0.994-1.003 |
| Refractive Index | 1.473-1.517 |
3-(Methylthio)butanal; 3-(Methylthio)butyraldehyde; Butanal, 3-(methylthio)-; 3-(Methylsulfanyl)butanal; potato butyraldehyde; FEMA No. 3374; Butyraldehyde, 3-(methylthio)-; beta-(Methylthio)butyraldehyde; UNII-1B27G5W046; EINECS 240-678-7; 1B27G5W046; DTXSID70864696; 3-METHYLSULFANYLBUTYRALDEHYDE; .BETA.-(METHYLTHIO)BUTYRALDEHYDE; RefChem:92682; DTXCID10813183
| Regulatory & Food Contact | 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 |
|---|---|
| GHS notification summary | 7.7% (115 / 1489) |
| GHS notification summary | 7.7% (115 / 1489) |
|---|---|
| Reported hazard statements | H302 (87.5%), H312 (87.5%), H315 (90.4%), H318 (87.5%) |
This chemical does not meet GHS hazard criteria for 7.7% (115 of 1489) of reports.
H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
3-(Methylthio) butanal · CAS 16630-52-7 · C5H10OS. UNII 1B27G5W046. Boiling Point: 63.00 to 65.00 °C. @ 10.00 mm Hg; Boiling Point: 190-192 °C; Density: 0.994-1.003.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(甲硫基)丁醛