Propyl disulfide (CAS 629-19-6) — formula C6H14S2, molecular weight 150.05 g/mol.
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Disulfide, dipropyl: ACTIVE.
Propyl disulfide is a chemical compound with CAS registry number 629-19-6 and molecular formula C6H14S2 (molecular weight 150.05 g/mol).
CAS number: 629-19-6
Its molecular formula C6H14S2 comprises 6 C, 14 H, 2 S atoms.
Also known as: Propyl disulfide · Dipropyl Disulfide
The CAS registry number of Propyl disulfide is 629-19-6.
Molecular formula C6H14S2, molecular weight 150.05 g/mol.
It is also registered under: Propyl disulfide, Dipropyl Disulfide.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Disulfide, dipropyl: ACTIVE.
Public-database records for Propyl disulfide (CAS 629-19-6), reproduced here for independent cross-checking.
| GHS notification summary | 0.3% (4 / 1428) |
|---|---|
| Reported hazard statements | H302 (91.1%), H319 (99.1%) |
This chemical does not meet GHS hazard criteria for 0.3% (4 of 1428) of reports.
H302 (91.1%): 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 Cooked Meat, Garlic, Onion, Pungent, Sulfur No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.3% (4 / 1428) |
| 沸点 | 193.00 to 195.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 193.5-195 °C; 99 °C (40 mm Hg) |
| 沸点 | 383 °F |
| 熔点 | -85.6 °C |
| 熔点 | -122.1 °F |
| 闪点 | 151 °F |
| 密度 | 0.950-0.960 |
| 折射率 | 1.495-1.500 |
| CAS Registry Number | 629-19-6 |
|---|---|
| PubChem CID | 12377 |
| 分子式 | C6H14S2 |
| 分子量 | 150.05 g/mol |
| IUPAC 名称 | 1-(propyldisulfanyl)propane |
| InChIKey | ALVPFGSHPUPROW-UHFFFAOYSA-N |
| UNII（FDA） | I7K169J70F |
| ChEBI 编号 | CHEBI:45758 |
| FEMA 编号 | 3228 |
| JECFA 编号 | 566 |
Dipropyl disulfide; Propyl disulfide; 629-19-6; 1-(Propyldisulfanyl)propane; Disulfide, dipropyl; Di-n-propyl disulfide; n-Propyl disulfide; 4,5-DITHIAOCTANE; FEMA No. 3228; DTXSID2022096; I7K169J70F; NSC-75122; DTXCID302096; CHEBI:45758; FEMA NO. 4577, DIPROPYL-; RefChem:920442
| 分子量 | 150.3 |
|---|---|
| XLogP3 | 2.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 150.05369279 |
| 单同位素质量 | 150.05369279 |
| 拓扑极性表面积 | 50.6 |
| 重原子数 | 8 |
| 形式电荷 | 0 |
Propyl disulfide is identified by CAS 629-19-6, molecular formula C6H14S2 and molecular weight 150.05 g/mol. UNII I7K169J70F; ChEBI 45758; InChIKey ALVPFGSHPUPROW-UHFFFAOYSA-N. 沸点: 193.00 to 195.00 °C. @ 760.00 mm Hg; 沸点: 193.5-195 °C; 99 °C (40 mm Hg); 沸点: 383 °F.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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