Allyl Propyl Disulfide (CAS 2179-59-1) — formula C6H12S2, molecular weight 148.04 g/mol; category organic chemicals.
Allyl Propyl Disulfide is a carbon-based organic compound with CAS registry number 2179-59-1 and molecular formula C6H12S2 (molecular weight 148.04 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2179-59-1
Its molecular formula C6H12S2 comprises 6 C, 12 H, 2 S atoms.
Also known as: Allyl Propyl Disulfide · allyl propyl disulphide
Category: organic chemicals
The CAS registry number of Allyl Propyl Disulfide is 2179-59-1.
Molecular formula C6H12S2, molecular weight 148.04 g/mol.
It is also registered under: Allyl Propyl Disulfide, allyl propyl disulphide.
Category: Organic Chemicals.
Public-database records for Allyl Propyl Disulfide (CAS 2179-59-1), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (95.8%), H319 (99%), H335 (97.9%), H226, H317, H320 |
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H315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (99%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: 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 | 66-68 °C at 16 mm Hg |
|---|---|
| 沸点 | 195.00 to 200.00 °C. @ 760.00 mm Hg |
| 沸点 | at 2.1kPa: 66-69 °C |
| 沸点 | 66 °C (10 mm Hg) |
| 熔点 | 5 °F (NTP, 1992) |
| 熔点 | -15 °C |
| 熔点 | 5 °F |
| 闪点 | 133.3 °F (NTP, 1992) |
| 闪点 | 133 °F |
| 闪点 | 56 °C |
| CAS Registry Number | 2179-59-1 |
|---|---|
| PubChem CID | 16591 |
| 分子式 | C6H12S2 |
| 分子量 | 148.04 g/mol |
| IUPAC 名称 | 1-(prop-2-enyldisulfanyl)propane |
| InChIKey | FCSSPCOFDUKHPV-UHFFFAOYSA-N |
| UNII(FDA) | 0167D73R1T |
| ChEBI 编号 | CHEBI:173628 |
| FEMA 编号 | 4073 |
| JECFA 编号 | 1700 |
ALLYL PROPYL DISULFIDE; 2179-59-1; 4,5-Dithia-1-octene; Disulfide, 2-propenyl propyl; 2-Propenyl propyl disulfide; Allyl propyl disulphide; Disulfide, allyl propyl; Propyl allyl disulfide; 3-(propyldisulfanyl)prop-1-ene; DTXSID8024448; FEMA NO. 4073; 0167D73R1T; DTXCID604448; RefChem:554885; 218-550-7; 1-Allyl-2-propyldisulfane
| 分子量 | 148.3 |
|---|---|
| XLogP3 | 2.4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 148.03804273 |
| 单同位素质量 | 148.03804273 |
| 拓扑极性表面积 | 50.6 |
| 重原子数 | 8 |
| 形式电荷 | 0 |
Allyl Propyl Disulfide is identified by CAS 2179-59-1, molecular formula C6H12S2 and molecular weight 148.04 g/mol. UNII 0167D73R1T; ChEBI 173628; InChIKey FCSSPCOFDUKHPV-UHFFFAOYSA-N. 沸点: 66-68 °C at 16 mm Hg; 沸点: 195.00 to 200.00 °C. @ 760.00 mm Hg; 沸点: at 2.1kPa: 66-69 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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