1,3-Propanedithiol（CAS 109-80-8）：分子式 C3H8S2、分子量 108.01 g/mol。
登记用途：Uses: Used as a reagent in the manufacture of thioketals and thioacetals、[NTP] Used as a flavoring agent、[FDA]、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、3-Propanedithiol: ACTIVE。
1,3-Propanedithiol 是一种化工化合物，登记 CAS 号为 109-80-8，分子式 C3H8S2（分子量 108.01 g/mol）。
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-Propanedithiol · 1,3-dimercaptopropane
1,3-Propanedithiol 的 CAS 登记号为 109-80-8。
分子式 C3H8S2，分子量 108.01 g/mol。
别名/同义词：1,3-Propanedithiol、1,3-dimercaptopropane。
登记用途：Uses: Used as a reagent in the manufacture of thioketals and thioacetals、[NTP] Used as a flavoring agent、[FDA]、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、3-Propanedithiol: ACTIVE。
1,3-Propanedithiol（CAS 109-80-8）的公开数据库记录，列此仅供独立核对。
| 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]
| 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) |
| 沸点 | 336 °F at 760 mmHg (NTP, 1992) |
|---|---|
| 沸点 | 169.00 to 173.00 °C. @ 760.00 mm Hg |
| 沸点 | 169-173 °C; 105 °C (100 mm Hg); 63 °C (15 mm Hg) |
| 熔点 | -110 °F (NTP, 1992) |
| 熔点 | -79 °C |
| 闪点 | 138 °F (NTP, 1992) |
| 密度 | 1.077-1.078 (d20/4) |
| 蒸气压 | 22.8 [mmHg] |
| 折射率 | 1.537-1.539 |
| CAS Registry Number | 109-80-8 |
|---|---|
| PubChem CID | 8013 |
| 分子式 | C3H8S2 |
| 分子量 | 108.01 g/mol |
| IUPAC 名称 | propane-1,3-dithiol |
| InChIKey | ZJLMKPKYJBQJNH-UHFFFAOYSA-N |
| UNII（FDA） | R4LUJ82U52 |
| ChEBI 编号 | CHEBI:44864 |
| FEMA 编号 | 3588 |
| JECFA 编号 | 535 |
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
| 分子量 | 108.23 |
|---|---|
| XLogP3 | 1.2 |
| 氢键供体数 | 2 |
| 氢键受体数 | 2 |
| 可旋转键数 | 2 |
| 精确质量 | 108.00674260 |
| 单同位素质量 | 108.00674260 |
| 拓扑极性表面积 | 2 |
| 重原子数 | 5 |
| 形式电荷 | 0 |
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. 沸点: 336 °F at 760 mmHg (NTP, 1992); 沸点: 169.00 to 173.00 °C. @ 760.00 mm Hg; 沸点: 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。