octane-1,8-dithiol (CAS 1191-62-4) — formula C8H18S2, molecular weight 178.4; category organic chemicals.
| CAS Number | 1191-62-4 |
|---|---|
| Molecular Formula | C8H18S2 |
| Molecular Weight | 178.4 |
| Melting Point | 0.9 °C |
| Boiling Point | 142.00 °C. @ 30.00 mm Hg |
| LogP | 3.3 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
octane-1,8-dithiol is a carbon-based organic compound with CAS registry number 1191-62-4 and molecular formula C8H18S2 (molecular weight 178.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1191-62-4
Its molecular formula C8H18S2 comprises 8 C, 18 H, 2 S atoms.
Also known as: octane-1,8-dithiol · 1,8-辛二硫醇 · 1,8-Octanedithiol
Category: organic chemicals
The CAS registry number of octane-1,8-dithiol is 1191-62-4.
Molecular formula C8H18S2, molecular weight 178.4.
It is also registered under: octane-1,8-dithiol, 1,8-辛二硫醇, 1,8-Octanedithiol.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Category: Organic Chemicals.
Independent reference data for octane-1,8-dithiol (CAS 1191-62-4), compiled from public chemistry databases.
| 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 |
| 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 |
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
| 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 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,8-辛二硫醇