3-Mercaptohexanol (CAS 51755-83-0) — formula C6H14OS, molecular weight 134.08 g/mol.
| CAS Number | 51755-83-0 |
|---|---|
| Molecular Formula | C6H14OS |
| Molecular Weight | 134.08 g/mol |
| Boiling Point | 198.00 °C. @ 760.00 mm Hg |
| LogP | 1.5 |
3-Mercaptohexanol is a chemical compound with CAS registry number 51755-83-0 and molecular formula C6H14OS (molecular weight 134.08 g/mol).
CAS number: 51755-83-0
Its molecular formula C6H14OS comprises 6 C, 14 H, 1 O, 1 S atoms.
Also known as: 3-Mercaptohexanol · 3-巯基-1-己醇
The CAS registry number of 3-Mercaptohexanol is 51755-83-0.
Molecular formula C6H14OS, molecular weight 134.08 g/mol.
It is also registered under: 3-Mercaptohexanol, 3-巯基-1-己醇.
Independent reference data for 3-Mercaptohexanol (CAS 51755-83-0), compiled from public chemistry databases.
| CAS 号 | 51755-83-0 |
|---|---|
| PubChem CID | 521348 |
| 分子式 | C6H14OS |
| 分子量 | 134.08 g/mol |
| IUPAC 名称 | 3-sulfanylhexan-1-ol |
| InChIKey | TYZFMFVWHZKYSE-UHFFFAOYSA-N |
| UNII（FDA） | U3TIX8Z92N |
| ChEBI 编号 | CHEBI:77690 |
| FEMA 编号 | 3850 |
| JECFA 编号 | 545 |
| Molecular Weight | 134.24 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 134.07653624 |
| Monoisotopic Mass | 134.07653624 |
| Topological Polar Surface Area | 21.2 |
| Heavy Atom Count | 8 |
| Boiling Point | 198.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 198 °C |
| Density | 0.975-0.980 |
| Refractive Index | 1.479-1.489 |
3-mercapto-1-hexanol; 51755-83-0; 3-Mercaptohexanol; 3-sulfanylhexan-1-ol; 1-Hexanol, 3-mercapto-; U3TIX8Z92N; FEMA NO. 3850; CHEBI:77690; DTXSID70866216; FEMA NO. 3851, MERCAPTOHEXANOL-; RefChem:94545; DTXCID80814526; 440-730-0; 610-721-8; 3-mercaptohexan-1-ol; 3-Thiohexan-1-ol
| 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, Grapefruit, Mango, Rhubarb, Sulfur No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 7% (100 / 1425) |
| GHS 通报统计 | 7% (100 / 1425) |
|---|---|
| 已通报的危害声明 | H315 (92.1%), H319 (92.1%), H302 (53.5%), H335 (59.2%), H411 (100%) |
3-巯基-1-己醇 的 CAS 号为 51755-83-0，分子式 C6H14OS，分子量 134.08 g/mol。 UNII U3TIX8Z92N; ChEBI 77690; InChIKey TYZFMFVWHZKYSE-UHFFFAOYSA-N. Boiling Point: 198.00 °C. @ 760.00 mm Hg; Boiling Point: 198 °C; Density: 0.975-0.980.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-巯基-1-己醇