1,8-Octanedithiol,CAS 登记号 1191-62-4,由济南圣和化工有限公司现货供应,可提供纯度 按批次COA提供(不公开发布) 的规格,下游主要用于Flavors。支持样品与小批量试用,批量价格请联系我们获取,验收以批次 COA 为准。
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本页已列出 1,8-Octanedithiol 的 CAS 号:1191-62-4,可与随货 COA 核对。
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1,8-Octanedithiol is identified by CAS 1191-62-4, molecular formula C8H18S2 and molecular weight 178.09 g/mol. UNII KH3W3161HS; ChEBI 172319; InChIKey PGTWZHXOSWQKCY-UHFFFAOYSA-N. Boiling Point: 142.00 °C. @ 30.00 mm Hg; Boiling Point: 269-270 °C; 193 °C (100 mm Hg); Melting Point: 0.9 °C.
| CAS Registry Number | 1191-62-4 |
|---|---|
| PubChem CID | 14493 |
| Molecular formula | C8H18S2 |
| Molecular weight | 178.09 g/mol |
| IUPAC name | octane-1,8-dithiol |
| InChIKey | PGTWZHXOSWQKCY-UHFFFAOYSA-N |
| UNII (FDA) | KH3W3161HS |
| ChEBI ID | CHEBI:172319 |
| FEMA number | 3514 |
| JECFA number | 541 |
| Molecular Weight | 178.4 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 178.08499292 |
| Monoisotopic Mass | 178.08499292 |
| Topological Polar Surface Area | 2 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Boiling Point | 142.00 °C. @ 30.00 mm Hg |
|---|---|
| Boiling Point | 269-270 °C; 193 °C (100 mm Hg) |
| Melting Point | 0.9 °C |
| Density | 0.962 (d20/4) |
| Refractive Index | 1.503-1.504 |
| 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 |
|---|
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
1,8-OCTANEDITHIOL; 1191-62-4; Octane-1,8-dithiol; 1,8-Dimercaptooctane; Octamethylene dimercaptan; 1,8-Octamethylenedithiol; FEMA No. 3514; DTXSID8047474; KH3W3161HS; DTXCID6027474; RefChem:73783; 214-738-8; MFCD00003574; SCHEMBL63238; OCTANEDITHIOL, 1,8-; CHEBI:172319
CAS 1191-62-4; molecular formula C8H18S2; molecular weight 178.09 g/mol.
1,8-OCTANEDITHIOL, 1191-62-4, Octane-1,8-dithiol, 1,8-Dimercaptooctane, Octamethylene dimercaptan, 1,8-Octamethylenedithiol.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H302.
Boiling Point: 142.00 °C. @ 30.00 mm Hg; Boiling Point: 269-270 °C; 193 °C (100 mm Hg); Melting Point: 0.9 °C; Density: 0.962 (d20/4).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.