Allyl Methyl Disulfide (CAS 2179-58-0) — formula C4H8S2, molecular weight 120.01 g/mol; category organic chemicals.
Allyl Methyl Disulfide is a carbon-based organic compound with CAS registry number 2179-58-0 and molecular formula C4H8S2 (molecular weight 120.01 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2179-58-0
Its molecular formula C4H8S2 comprises 4 C, 8 H, 2 S atoms.
Also known as: Allyl Methyl Disulfide · allyl methyl disulphide
Category: organic chemicals
The CAS registry number of Allyl Methyl Disulfide is 2179-58-0.
Molecular formula C4H8S2, molecular weight 120.01 g/mol.
It is also registered under: Allyl Methyl Disulfide, allyl methyl disulphide.
Category: Organic Chemicals.
Public-database records for Allyl Methyl Disulfide (CAS 2179-58-0), reproduced here for independent cross-checking.
| Reported hazard statements | H225 (80%), H226 (20%), H302 (13.3%), H315 (13.3%), H319 (13.3%), H335 (13.3%) |
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H225 (80%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H226 (20%): Flammable liquid and vapor [Warning Flammable liquids]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
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| 沸点 | 30.00 to 33.00 °C. @ 20.00 mm Hg |
|---|---|
| 沸点 | 83-84 °C (170 mm Hg); 30-33 °C (20 mm Hg) |
| 密度 | 0.927-0.933 |
| 折射率 | 1.533- 1.535 |
| CAS Registry Number | 2179-58-0 |
|---|---|
| PubChem CID | 62434 |
| 分子式 | C4H8S2 |
| 分子量 | 120.01 g/mol |
| IUPAC 名称 | 3-(methyldisulfanyl)prop-1-ene |
| InChIKey | XNZOTQPMYMCTBZ-UHFFFAOYSA-N |
| UNII（FDA） | OXW45UTR7B |
| ChEBI 编号 | CHEBI:6854 |
| FEMA 编号 | 3127 |
| JECFA 编号 | 568 |
ALLYL METHYL DISULFIDE; Methyl allyl disulfide; 2179-58-0; 3-(methyldisulfanyl)prop-1-ene; Allyl methyl disulphide; Methyl 2-propenyl disulfide; Disulfide, methyl 2-propenyl; OXW45UTR7B; FEMA No. 3127; DTXSID60176199; CHEBI:6854; RefChem:110878; DTXCID9098690; 218-549-1; methylallyl disulphide; 4,5-dithia-1-hexene
| 分子量 | 120.2 |
|---|---|
| XLogP3 | 1.6 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 120.00674260 |
| 单同位素质量 | 120.00674260 |
| 拓扑极性表面积 | 50.6 |
| 重原子数 | 6 |
| 形式电荷 | 0 |
Allyl Methyl Disulfide is identified by CAS 2179-58-0, molecular formula C4H8S2 and molecular weight 120.01 g/mol. UNII OXW45UTR7B; ChEBI 6854; InChIKey XNZOTQPMYMCTBZ-UHFFFAOYSA-N. 沸点: 30.00 to 33.00 °C. @ 20.00 mm Hg; 沸点: 83-84 °C (170 mm Hg); 30-33 °C (20 mm Hg); 密度: 0.927-0.933.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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