4-(Methylthio)butanol (CAS 20582-85-8) — formula C5H12OS, molecular weight 120.22; category organic chemicals.
| CAS Number | 20582-85-8 |
|---|---|
| Molecular Formula | C5H12OS |
| Molecular Weight | 120.22 |
| Boiling Point | 95.00 to 98.00 °C. @ 20.00 mm Hg |
| LogP | 0.9 |
| Category | Organic Chemicals |
4-(Methylthio)butanol is a carbon-based organic compound with CAS registry number 20582-85-8 and molecular formula C5H12OS (molecular weight 120.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 20582-85-8
Its molecular formula C5H12OS comprises 5 C, 12 H, 1 O, 1 S atoms.
Also known as: 4-(Methylthio)butanol · 4-(甲硫基)丁醇
Category: organic chemicals
The CAS registry number of 4-(Methylthio)butanol is 20582-85-8.
Molecular formula C5H12OS, molecular weight 120.22.
It is also registered under: 4-(Methylthio)butanol, 4-(甲硫基)丁醇.
Category: Organic Chemicals.
Independent reference data for 4-(Methylthio)butanol (CAS 20582-85-8), compiled from public chemistry databases.
| CAS Registry Number | 20582-85-8 |
|---|---|
| PubChem CID | 519793 |
| Molecular formula | C5H12OS |
| IUPAC name | 4-methylsulfanylbutan-1-ol |
| UNII (FDA) | YL87URY6PC |
| FEMA number | 3600 |
| JECFA number | 462 |
| Molecular Weight | 120.22 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 120.06088618 |
| Monoisotopic Mass | 120.06088618 |
| Topological Polar Surface Area | 45.5 |
| Heavy Atom Count | 7 |
| Boiling Point | 95.00 to 98.00 °C. @ 20.00 mm Hg |
|---|---|
| Boiling Point | 62-67 °C (0.35-0.40 mm Hg) |
| Density | 0.990-0.997 |
| Refractive Index | 1.488-1.498 |
4-(Methylthio)butanol; 4-(Methylthio)-1-butanol; 20582-85-8; 4-methylsulfanylbutan-1-ol; 4-(methylsulfanyl)butan-1-ol; 4-(methylthio)butan-1-ol; 1-Butanol, 4-(methylthio)-; FEMA No. 3600; YL87URY6PC; DTXSID60174594; RefChem:516402; DTXCID0097085; 606-585-4; 927-354-7; 4-methylthiobutan-1-ol; 4-(Methylsulfanyl)-1-butanol
| 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 | 0.9% (1 / 115) |
| GHS notification summary | 0.9% (1 / 115) |
|---|---|
| Reported hazard statements | H302 (99.1%), H312 (99.1%), H332 (99.1%) |
This chemical does not meet GHS hazard criteria for 0.9% (1 of 115) of reports.
H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
4-(Methylthio)butanol · CAS 20582-85-8 · C5H12OS. UNII YL87URY6PC. Boiling Point: 95.00 to 98.00 °C. @ 20.00 mm Hg; Boiling Point: 62-67 °C (0.35-0.40 mm Hg); Density: 0.990-0.997.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-(甲硫基)丁醇