2,4,6-TRITHIAHEPTANE (CAS 6540-86-9) — formula C4H10S3, molecular weight 153.99 g/mol; category organic chemicals.
| CAS Number | 6540-86-9 |
|---|---|
| Molecular Formula | C4H10S3 |
| Molecular Weight | 153.99 g/mol |
| Boiling Point | 255.00 °C. @ 760.00 mm Hg |
| LogP | 2.4 |
| Category | Organic Chemicals |
2,4,6-TRITHIAHEPTANE is a carbon-based organic compound with CAS registry number 6540-86-9 and molecular formula C4H10S3 (molecular weight 153.99 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6540-86-9
Its molecular formula C4H10S3 comprises 4 C, 10 H, 3 S atoms.
Also known as: 2,4,6-TRITHIAHEPTANE · 双(硫代甲氧基甲基)硫醚,97%
Category: organic chemicals
The CAS registry number of 2,4,6-TRITHIAHEPTANE is 6540-86-9.
Molecular formula C4H10S3, molecular weight 153.99 g/mol.
It is also registered under: 2,4,6-TRITHIAHEPTANE, 双(硫代甲氧基甲基)硫醚,97%.
Category: Organic Chemicals.
Independent reference data for 2,4,6-TRITHIAHEPTANE (CAS 6540-86-9), compiled from public chemistry databases.
| CAS Registry Number | 6540-86-9 |
|---|---|
| PubChem CID | 399848 |
| Molecular formula | C4H10S3 |
| Molecular weight | 153.99 g/mol |
| IUPAC name | methylsulfanyl(methylsulfanylmethylsulfanyl)methane |
| InChIKey | PQFOEUXAUYRCAY-UHFFFAOYSA-N |
| UNII (FDA) | NUN90O9MA6 |
| ChEBI ID | CHEBI:173655 |
| FEMA number | 4214 |
| JECFA number | 1684 |
| Molecular Weight | 154.3 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 153.99446384 |
| Monoisotopic Mass | 153.99446384 |
| Topological Polar Surface Area | 75.9 |
| Heavy Atom Count | 7 |
| Boiling Point | 255.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 250-255 °C |
2,4,6-TRITHIAHEPTANE; 6540-86-9; Bis(methylthiomethyl) sulfide; FEMA No. 4214; 2,4,6-Trithiaheptane [FHFI]; Sulfide, bis((methylthio)methyl); NUN90O9MA6; Methane, 1,1'-thiobis(1-(methylthio)-; (METHYLSULFANYL)({[(METHYLSULFANYL)METHYL]SULFANYL})METHANE; DTXSID20215715; (methylsulfanyl)((((methylsulfanyl)methyl)sulfanyl))methane; RefChem:443018; DTXCID50138206; 613-792-3; methylsulfanyl(methylsulfanylmethylsulfanyl)methane; UNII-NUN90O9MA6
| 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 |
|---|---|
| GHS notification summary | 0.8% (1 / 122) |
| GHS notification summary | 0.8% (1 / 122) |
|---|---|
| Reported hazard statements | H302 (95.1%), H315 (99.2%), H319 (99.2%), H335 (99.2%) |
This chemical does not meet GHS hazard criteria for 0.8% (1 of 122) of reports.
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
2,4,6-TRITHIAHEPTANE is identified by CAS 6540-86-9, molecular formula C4H10S3 and molecular weight 153.99 g/mol. UNII NUN90O9MA6; ChEBI 173655; InChIKey PQFOEUXAUYRCAY-UHFFFAOYSA-N. Boiling Point: 255.00 °C. @ 760.00 mm Hg; Boiling Point: 250-255 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 双(硫代甲氧基甲基)硫醚,97%