2,5-二羟基-1,4-二噻烷/1,4-二硫-2,5-环己二醇(CAS 40018-26-6):分子式 C4H8O2S2、分子量 152.2。
| CAS号 | 40018-26-6 |
|---|---|
| 分子式 | C4H8O2S2 |
| 分子量 | 152.2 |
| 熔点 | 130.00 °C. @ 760.00 mm Hg |
| LogP | 0.3 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
登记用途:Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
2,5-二羟基-1,4-二噻烷/1,4-二硫-2,5-环己二醇 是一种化工化合物,登记 CAS 号为 40018-26-6,分子式 C4H8O2S2(分子量 152.2)。
登记 CAS 号:40018-26-6
其分子式 C4H8O2S2 由 4 个碳、8 个氢、2 个氧、2 个硫 组成。
别名/同义词:2,5-二羟基-1,4-二噻烷/1,4-二硫-2,5-环己二醇 · p-Dithiane-2,5-diol · 2,5-Dihydroxy-1,4-dithiane (Mercaptoacetaldehyde dimer)
2,5-二羟基-1,4-二噻烷/1,4-二硫-2,5-环己二醇 的 CAS 登记号为 40018-26-6。
分子式 C4H8O2S2,分子量 152.2。
别名/同义词:2,5-二羟基-1,4-二噻烷/1,4-二硫-2,5-环己二醇、p-Dithiane-2,5-diol、2,5-Dihydroxy-1,4-dithiane (Mercaptoacetaldehyde dimer)。
登记用途:Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
2,5-二羟基-1,4-二噻烷/1,4-二硫-2,5-环己二醇(CAS 40018-26-6)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 40018-26-6 |
|---|---|
| PubChem CID | 98330 |
| Molecular formula | C4H8O2S2 |
| Molecular weight | 152.00 g/mol |
| IUPAC name | 1,4-dithiane-2,5-diol |
| InChIKey | YUIOPHXTILULQC-UHFFFAOYSA-N |
| UNII (FDA) | R4F79F1JB0 |
| ChEBI ID | CHEBI:179581 |
| FEMA number | 3826 |
| JECFA number | 550 |
| Molecular Weight | 152.2 |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 151.99657184 |
| Monoisotopic Mass | 151.99657184 |
| Topological Polar Surface Area | 91.1 |
| Heavy Atom Count | 8 |
| Melting Point | 130.00 °C. @ 760.00 mm Hg |
|---|
1,4-Dithiane-2,5-diol; 40018-26-6; 2,5-Dihydroxy-1,4-dithiane; R4F79F1JB0; NSC-106280; FEMA NO. 3826; DTXSID90865983; RefChem:444434; DTXCID80814329; 254-751-6; p-Dithiane-2,5-diol; Mercaptoacetaldehyde dimer; MFCD00006659; 4-dithiane-2,5-diol; [1,4]dithiane-2,5-diol; 2,5-Dihydroxy-1,4-dithian
| 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 |
|---|
| Reported hazard statements | H302 (95.2%), H317 (99.9%), H318 (98%), H412 (95.3%) |
|---|
H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
2,5-Dihydroxy-1,4-dithiane (Mercaptoacetaldehyde dimer) is identified by CAS 40018-26-6, molecular formula C4H8O2S2 and molecular weight 152.00 g/mol. UNII R4F79F1JB0; ChEBI 179581; InChIKey YUIOPHXTILULQC-UHFFFAOYSA-N. Melting Point: 130.00 °C. @ 760.00 mm Hg.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: p-Dithiane-2,5-diol