4-mercapto-4-methyl-2-pentanol (CAS 31539-84-1) — formula C6H14OS, molecular weight 134.24; category organic chemicals.
| CAS Number | 31539-84-1 |
|---|---|
| Molecular Formula | C6H14OS |
| Molecular Weight | 134.24 |
| Boiling Point | 50.00 to 51.00 °C. @ 1.00 mm Hg |
| LogP | 1.2 |
| Category | Organic Chemicals |
4-mercapto-4-methyl-2-pentanol is a carbon-based organic compound with CAS registry number 31539-84-1 and molecular formula C6H14OS (molecular weight 134.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31539-84-1
Its molecular formula C6H14OS comprises 6 C, 14 H, 1 O, 1 S atoms.
Also known as: 4-mercapto-4-methyl-2-pentanol · 4-巯基-4-甲基-2-戊醇, 98%
Category: organic chemicals
The CAS registry number of 4-mercapto-4-methyl-2-pentanol is 31539-84-1.
Molecular formula C6H14OS, molecular weight 134.24.
It is also registered under: 4-mercapto-4-methyl-2-pentanol, 4-巯基-4-甲基-2-戊醇, 98%.
Category: Organic Chemicals.
Independent reference data for 4-mercapto-4-methyl-2-pentanol (CAS 31539-84-1), compiled from public chemistry databases.
| CAS 号 | 31539-84-1 |
|---|---|
| PubChem CID | 6429308 |
| 分子式 | C6H14OS |
| IUPAC 名称 | 4-methyl-4-sulfanylpentan-2-ol |
| UNII（FDA） | TG884YY7A6 |
| FEMA 编号 | 4158 |
| JECFA 编号 | 1669 |
| Molecular Weight | 134.24 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 134.07653624 |
| Monoisotopic Mass | 134.07653624 |
| Topological Polar Surface Area | 21.2 |
| Heavy Atom Count | 8 |
| Boiling Point | 50.00 to 51.00 °C. @ 1.00 mm Hg |
|---|---|
| Boiling Point | 50-51 °C (1 mm Hg) |
| Density | 1.154-1.158 |
| Refractive Index | 1.463-1.468 |
4-mercapto-4-methyl-2-pentanol; 31539-84-1; 4-MERCAPTO-4-METHYLPENTAN-2-OL; 2-Pentanol, 4-mercapto-4-methyl-; FEMA no. 4158; TG884YY7A6; RefChem:524397; 4-Mercapto-4-methyl-2-pentanol, (+-)-; (+-)-4-MERCAPTO-4-METHYL-2-PENTANOL; (+-)-4-MERCAPTO-4-METHYL-2-PENTANOL [FHFI]; 679-102-8; 4-methyl-4-sulfanylpentan-2-ol; (+/-)-4-Mercapto-4-methyl-2-pentanol; 4-Methyl-4-sulfanyl-pentan-2-ol; MFCD10688294; 4-Mercapto-4-methyl-2-pentanol, (+/-)-
| 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 Black Currant, Cat, Flower, Grapefruit, Lemon No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 11.1% (1 / 9) |
| GHS 通报统计 | 11.1% (1 / 9) |
|---|---|
| 已通报的危害声明 | H302 (77.8%), H315 (77.8%), H318 (11.1%), H319 (77.8%), H335 (77.8%) |
4-巯基-4-甲基-2-戊醇, 98% · CAS 31539-84-1 · C6H14OS. UNII TG884YY7A6. Boiling Point: 50.00 to 51.00 °C. @ 1.00 mm Hg; Boiling Point: 50-51 °C (1 mm Hg); Density: 1.154-1.158.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-巯基-4-甲基-2-戊醇, 98%