3-MERCAPTO-3-METHYLBUTANOL (CAS 34300-94-2) — formula C5H12OS, molecular weight 120.22; category organic chemicals.
| CAS Number | 34300-94-2 |
|---|---|
| Molecular Formula | C5H12OS |
| Molecular Weight | 120.22 |
| Boiling Point | 186.00 °C. @ 730.00 mm Hg |
| LogP | 0.8 |
| Category | Organic Chemicals |
3-MERCAPTO-3-METHYLBUTANOL is a carbon-based organic compound with CAS registry number 34300-94-2 and molecular formula C5H12OS (molecular weight 120.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 34300-94-2
Its molecular formula C5H12OS comprises 5 C, 12 H, 1 O, 1 S atoms.
Also known as: 3-MERCAPTO-3-METHYLBUTANOL · 3-巯基-3-甲基-1-丁醇
Category: organic chemicals
The CAS registry number of 3-MERCAPTO-3-METHYLBUTANOL is 34300-94-2.
Molecular formula C5H12OS, molecular weight 120.22.
It is also registered under: 3-MERCAPTO-3-METHYLBUTANOL, 3-巯基-3-甲基-1-丁醇.
Category: Organic Chemicals.
Independent reference data for 3-MERCAPTO-3-METHYLBUTANOL (CAS 34300-94-2), compiled from public chemistry databases.
| CAS 号 | 34300-94-2 |
|---|---|
| PubChem CID | 520682 |
| 分子式 | C5H12OS |
| IUPAC 名称 | 3-methyl-3-sulfanylbutan-1-ol |
| UNII（FDA） | 1RF3LN9685 |
| FEMA 编号 | 3854 |
| JECFA 编号 | 544 |
| Molecular Weight | 120.22 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 120.06088618 |
| Monoisotopic Mass | 120.06088618 |
| Topological Polar Surface Area | 21.2 |
| Heavy Atom Count | 7 |
| Boiling Point | 186.00 °C. @ 730.00 mm Hg |
|---|---|
| Boiling Point | 186 °C (730 mm Hg) |
| Density | 0.989 (20 °C) |
| Refractive Index | 1.480-1.490 |
3-Mercapto-3-methyl-1-butanol; 34300-94-2; 3-methyl-3-sulfanylbutan-1-ol; 3-Mercapto-3-methylbutanol; 1-Butanol, 3-mercapto-3-methyl-; FEMA no. 3854; 1RF3LN9685; UNII-1RF3LN9685; 3-Mercapto-3-methyl-1-butanol [FHFI]; CHEBI:156142; FEMA 3854; DTXSID50187870; RefChem:94538; 3-Methyl-3-sulphanylbutan-1-ol; DTXCID10110361; 629-355-5
| 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 Leek, Meat Broth, Onion, Soup No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 0.6% (1 / 158) |
| GHS 通报统计 | 0.6% (1 / 158) |
|---|---|
| 已通报的危害声明 | H302 (49.4%), H315 (57.6%), H318 (25.9%), H319 (57.6%), H335 (57%) |
3-巯基-3-甲基-1-丁醇 · CAS 34300-94-2 · C5H12OS. UNII 1RF3LN9685. Boiling Point: 186.00 °C. @ 730.00 mm Hg; Boiling Point: 186 °C (730 mm Hg); Density: 0.989 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-巯基-3-甲基-1-丁醇