1,2-Butanedithiol (CAS 16128-68-0) — formula C4H10S2, molecular weight 122.02 g/mol; category organic chemicals.
| CAS Number | 16128-68-0 |
|---|---|
| Molecular Formula | C4H10S2 |
| Molecular Weight | 122.02 g/mol |
| Boiling Point | 77.00 °C. @ 28.00 mm Hg |
| LogP | 1.8 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1, 2-Butanedithiol: INACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1, 2-Butanedithiol: INACTIVE.
1,2-Butanedithiol is a carbon-based organic compound with CAS registry number 16128-68-0 and molecular formula C4H10S2 (molecular weight 122.02 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 16128-68-0
Its molecular formula C4H10S2 comprises 4 C, 10 H, 2 S atoms.
Also known as: 1,2-Butanedithiol · 1,2-丁二硫醇
Category: organic chemicals
The CAS registry number of 1,2-Butanedithiol is 16128-68-0.
Molecular formula C4H10S2, molecular weight 122.02 g/mol.
It is also registered under: 1,2-Butanedithiol, 1,2-丁二硫醇.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1, 2-Butanedithiol: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 1,2-Butanedithiol (CAS 16128-68-0), compiled from public chemistry databases.
| CAS 号 | 16128-68-0 |
|---|---|
| PubChem CID | 61829 |
| 分子式 | C4H10S2 |
| 分子量 | 122.02 g/mol |
| IUPAC 名称 | butane-1,2-dithiol |
| InChIKey | LFTMJBWNOFFSRW-UHFFFAOYSA-N |
| UNII（FDA） | 2L7E5T7FUM |
| ChEBI 编号 | CHEBI:179051 |
| FEMA 编号 | 3528 |
| JECFA 编号 | 537 |
| Molecular Weight | 122.3 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 122.02239267 |
| Monoisotopic Mass | 122.02239267 |
| Topological Polar Surface Area | 2 |
| Heavy Atom Count | 6 |
| Boiling Point | 77.00 °C. @ 28.00 mm Hg |
|---|---|
| Boiling Point | 77 °C (28 mm Hg) |
| Density | 1.039 (d20/4) |
| Refractive Index | 1.521-1.531 |
1,2-Butanedithiol; butane-1,2-dithiol; 1,2-Dimercaptobutane; 1,2-Dithiolbutane; 1-Ethyl-1,2-ethanedithiol; 1,2-butane dithiol; FEMA No. 3528; UNII-2L7E5T7FUM; 2L7E5T7FUM; EINECS 240-290-8; AI3-61993; DTXSID60864665; 1,2-BUTANEDITHIOL [FHFI]; RefChem:71750; DTXCID80813155; (+-)-1,2-BUTANEDITHIOL
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, 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 |
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| 已通报的危害声明 | H315 (100%), H319 (100%) |
|---|
1,2-丁二硫醇 的 CAS 号为 16128-68-0，分子式 C4H10S2，分子量 122.02 g/mol。 UNII 2L7E5T7FUM; ChEBI 179051; InChIKey LFTMJBWNOFFSRW-UHFFFAOYSA-N. Boiling Point: 77.00 °C. @ 28.00 mm Hg; Boiling Point: 77 °C (28 mm Hg); Density: 1.039 (d20/4).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,2-丁二硫醇