1,3-丙二硫醇(CAS 109-80-8):分子式 C3H8S2、分子量 108.23。
| CAS号 | 109-80-8 |
|---|---|
| 分子式 | C3H8S2 |
| 分子量 | 108.23 |
| 熔点 | -110 °F (NTP, 1992) |
| 沸点 | 336 °F at 760 mmHg (NTP, 1992) |
| LogP | 1.2 |
1,3-丙二硫醇 是一种化工化合物,登记 CAS 号为 109-80-8,分子式 C3H8S2(分子量 108.23)。
登记 CAS 号:109-80-8
其分子式 C3H8S2 由 3 个碳、8 个氢、2 个硫 组成。
别名/同义词:1,3-丙二硫醇 · 1,3-dimercaptopropane · 1,3-Propanedithiol
1,3-丙二硫醇 的 CAS 登记号为 109-80-8。
分子式 C3H8S2,分子量 108.23。
别名/同义词:1,3-丙二硫醇、1,3-dimercaptopropane、1,3-Propanedithiol。
1,3-丙二硫醇(CAS 109-80-8)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 109-80-8 |
|---|---|
| PubChem CID | 8013 |
| Molecular formula | C3H8S2 |
| Molecular weight | 108.01 g/mol |
| IUPAC name | propane-1,3-dithiol |
| InChIKey | ZJLMKPKYJBQJNH-UHFFFAOYSA-N |
| UNII (FDA) | R4LUJ82U52 |
| ChEBI ID | CHEBI:44864 |
| FEMA number | 3588 |
| JECFA number | 535 |
| Molecular Weight | 108.23 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 108.00674260 |
| Monoisotopic Mass | 108.00674260 |
| Topological Polar Surface Area | 2 |
| Heavy Atom Count | 5 |
| Boiling Point | 336 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 169.00 to 173.00 °C. @ 760.00 mm Hg |
| Boiling Point | 169-173 °C; 105 °C (100 mm Hg); 63 °C (15 mm Hg) |
| Melting Point | -110 °F (NTP, 1992) |
| Melting Point | -79 °C |
| Flash Point | 138 °F (NTP, 1992) |
| Density | 1.077-1.078 (d20/4) |
| Vapor Pressure | 22.8 [mmHg] |
| Refractive Index | 1.537-1.539 |
1,3-Propanedithiol; Propane-1,3-dithiol; 109-80-8; 1,3-DIMERCAPTOPROPANE; Trimethylene dimercaptan; Dithiotrimethyleneglycol; Trimethylenedithiol; Trimethylenedithioglycol; 1,3-Propanedimercaptan; 1,3-propane dithiol; FEMA No. 3588; R4LUJ82U52; 1,3-TRIMETHYLENEDITHIOL; DTXSID0059376; CHEBI:44864; RefChem:72944
| 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 | 7.1% (11 / 154) |
| GHS notification summary | 7.1% (11 / 154) |
|---|---|
| Reported hazard statements | H302 (16.9%), H315 (85.7%), H319 (83.8%), H335 (83.1%) |
This chemical does not meet GHS hazard criteria for 7.1% (11 of 154) of reports.
H302 (16.9%): Harmful if swallowed [Warning Acute toxicity, oral]
1,3-Propanedithiol is identified by CAS 109-80-8, molecular formula C3H8S2 and molecular weight 108.01 g/mol. UNII R4LUJ82U52; ChEBI 44864; InChIKey ZJLMKPKYJBQJNH-UHFFFAOYSA-N. Boiling Point: 336 °F at 760 mmHg (NTP, 1992); Boiling Point: 169.00 to 173.00 °C. @ 760.00 mm Hg; Boiling Point: 169-173 °C; 105 °C (100 mm Hg); 63 °C (15 mm Hg).
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 1,3-dimercaptopropane