3,5-二乙基-1,2,4-三硫杂环戊烷（CAS 54644-28-9）：分子式 C6H12S3、分子量 180.4。
| CAS号 | 54644-28-9 |
|---|---|
| 分子式 | C6H12S3 |
| 分子量 | 180.4 |
| 沸点 | 70-72 °C (1 mm Hg) |
| LogP | 3.4 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
3,5-二乙基-1,2,4-三硫杂环戊烷 是一种化工化合物，登记 CAS 号为 54644-28-9，分子式 C6H12S3（分子量 180.4）。
登记 CAS 号：54644-28-9
其分子式 C6H12S3 由 6 个碳、12 个氢、3 个硫 组成。
别名/同义词：3,5-二乙基-1,2,4-三硫杂环戊烷 · 3,5-diethyl-1,2,4-trithiolane
3,5-二乙基-1,2,4-三硫杂环戊烷 的 CAS 登记号为 54644-28-9。
分子式 C6H12S3，分子量 180.4。
别名/同义词：3,5-二乙基-1,2,4-三硫杂环戊烷、3,5-diethyl-1,2,4-trithiolane。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
3,5-二乙基-1,2,4-三硫杂环戊烷（CAS 54644-28-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 54644-28-9 |
|---|---|
| PubChem CID | 520895 |
| Molecular formula | C6H12S3 |
| Molecular weight | 180.01 g/mol |
| IUPAC name | 3,5-diethyl-1,2,4-trithiolane |
| InChIKey | WQXXXHMEBYGSBG-UHFFFAOYSA-N |
| UNII (FDA) | 2X9PB2D782 |
| FEMA number | 4030 |
| JECFA number | 1686 |
| Molecular Weight | 180.4 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 180.01011390 |
| Monoisotopic Mass | 180.01011390 |
| Topological Polar Surface Area | 75.9 |
| Heavy Atom Count | 9 |
| Boiling Point | 70-72 °C (1 mm Hg) |
|---|---|
| Density | 1.147-1.160 |
| Refractive Index | 1.558-1.570 |
3,5-Diethyl-1,2,4-trithiolane; 54644-28-9; 1,2,4-Trithiolane, 3,5-diethyl-; FEMA No. 4030; 2X9PB2D782; DTXSID60969922; RefChem:486794; DTXCID20219899; (+-)-3,5-DIETHYL-1,2,4-TRITHIOLANE; 3,5-DIETHYL-1,2,4-TRITHIOLANE, (+-)-; 639-067-1; 957-350-0; (+/-)-3,5-Diethyl-1,2,4-trithiolane; UNII-2X9PB2D782; 3,5-Diethyl-1,2,4-trithiolane, (+/-)-; (+/-)-cis-and trans-3,5-Diethyl-1,2,4-trithiolane [FIFH]
| 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 | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
3,5-diethyl-1,2,4-trithiolane is identified by CAS 54644-28-9, molecular formula C6H12S3 and molecular weight 180.01 g/mol. UNII 2X9PB2D782; InChIKey WQXXXHMEBYGSBG-UHFFFAOYSA-N. Boiling Point: 70-72 °C (1 mm Hg); Density: 1.147-1.160; Refractive Index: 1.558-1.570.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3,5-diethyl-1,2,4-trithiolane