1,4-二噻烷(CAS 505-29-3):分子式 C4H8S2、分子量 120.2。
| CAS号 | 505-29-3 |
|---|---|
| 分子式 | C4H8S2 |
| 分子量 | 120.2 |
| 熔点 | 112.3 °C |
| 沸点 | 115.6 °C at 60 mm Hg |
| LogP | log Kow = 0.77 |
1,4-二噻烷 是一种化工化合物,登记 CAS 号为 505-29-3,分子式 C4H8S2(分子量 120.2)。
登记 CAS 号:505-29-3
其分子式 C4H8S2 由 4 个碳、8 个氢、2 个硫 组成。
别名/同义词:1,4-二噻烷 · 1,4-Dithiane
1,4-二噻烷 的 CAS 登记号为 505-29-3。
分子式 C4H8S2,分子量 120.2。
别名/同义词:1,4-二噻烷、1,4-Dithiane。
1,4-二噻烷(CAS 505-29-3)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 505-29-3 |
|---|---|
| PubChem CID | 10452 |
| Molecular formula | C4H8S2 |
| Molecular weight | 120.01 g/mol |
| IUPAC name | 1,4-dithiane |
| InChIKey | LOZWAPSEEHRYPG-UHFFFAOYSA-N |
| UNII (FDA) | 3274B1T5A0 |
| ChEBI ID | CHEBI:540 |
| FEMA number | 3831 |
| JECFA number | 456 |
| Molecular Weight | 120.2 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 120.00674260 |
| Monoisotopic Mass | 120.00674260 |
| Topological Polar Surface Area | 50.6 |
| Heavy Atom Count | 6 |
| Boiling Point | 115.6 °C at 60 mm Hg |
|---|---|
| Boiling Point | 199.00 to 200.00 °C. @ 760.00 mm Hg |
| Boiling Point | 199-200 °C |
| Melting Point | 112.3 °C |
| Melting Point | 112 - 113 °C |
| Solubility | In water, 3,000 mg/L at 25 °C |
| Solubility | 3 mg/mL at 25 °C |
| Vapor Pressure | 1.57 [mmHg] |
| Vapor Pressure | 0.80 mm Hg at 25 °C |
| LogP | log Kow = 0.77 |
1,4-DITHIANE; 505-29-3; p-Dithiane; 1,4-Dithiacyclohexane; Diethylene disulfide; p-Dithane; p-Dithiin, tetrahydro-; DTXSID3024077; NSC-24178; CHEBI:540; 3274B1T5A0; DTXCID304077; FEMA NO. 3831; RefChem:73347; 208-007-2; para-Dithiane
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 896-JECFA 53/32 |
|---|
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
1,4-Dithiane is identified by CAS 505-29-3, molecular formula C4H8S2 and molecular weight 120.01 g/mol. UNII 3274B1T5A0; ChEBI 540; InChIKey LOZWAPSEEHRYPG-UHFFFAOYSA-N. Boiling Point: 115.6 °C at 60 mm Hg; Boiling Point: 199.00 to 200.00 °C. @ 760.00 mm Hg; Boiling Point: 199-200 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 1,4-Dithiane