TRITHIOACETONE (CAS 828-26-2) — formula C9H18S3, molecular weight 222.06 g/mol; category organic chemicals.
TRITHIOACETONE (CAS 828-26-2) is a organic chemicals. Its molecular formula C9H18S3 comprises 9 C, 18 H, 3 S atoms. Its molecular weight is about 222.06 g/mol. Reported physicochemical data: melting point around 21.8 °C, boiling point around 105.00 to 107.00 °C. @ 10.00 mm Hg, LogP about 4.1. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 828-26-2 |
|---|---|
| Molecular Formula | C9H18S3 |
| Molecular Weight | 222.06 g/mol |
| Melting Point | 21.8 °C |
| Boiling Point | 105.00 to 107.00 °C. @ 10.00 mm Hg |
| LogP | 4.1 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
TRITHIOACETONE is a carbon-based organic compound with CAS registry number 828-26-2 and molecular formula C9H18S3 (molecular weight 222.06 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 828-26-2
Its molecular formula C9H18S3 comprises 9 C, 18 H, 3 S atoms.
Also known as: TRITHIOACETONE · 2.2.4.4.6.6-三甲基-1.3.5-三噻烷 · 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane
Category: organic chemicals / food flavors
The CAS registry number of TRITHIOACETONE is 828-26-2.
Molecular formula C9H18S3, molecular weight 222.06 g/mol.
It is also registered under: TRITHIOACETONE, 2.2.4.4.6.6-三甲基-1.3.5-三噻烷, 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Organic Chemicals / Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for TRITHIOACETONE (CAS 828-26-2), compiled from public chemistry databases.
| CAS Number | 828-26-2 |
|---|---|
| PubChem CID | 13233 |
| Molecular Formula | C9H18S3 |
| Molecular Weight | 222.06 g/mol |
| IUPAC Name | 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane |
| InChIKey | NBNWHQAWKFYFKI-UHFFFAOYSA-N |
| UNII (FDA) | L0ME5B2ZWY |
| Molecular Weight | 222.4 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 222.05706409 |
| Monoisotopic Mass | 222.05706409 |
| Topological Polar Surface Area | 75.9 |
| Heavy Atom Count | 12 |
| Boiling Point | 105.00 to 107.00 °C. @ 10.00 mm Hg |
|---|---|
| Boiling Point | 78.5 °C (0.5 mm Hg) |
| Melting Point | 21.8 °C |
| Density | 1.062-1.068 |
| Refractive Index | 1.537-1.545 |
2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane; Trithioacetone; 2,2,4,4,6,6-Hexamethyl-S-trithiane; Hexamethyl-1,3,5-trithiane; Hexamethyl-S-trithiane; 1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-; S-Trithiane, hexamethyl-; tropical trithiane; FEMA No. 3475; s-TRITHIANE, 2,2,4,4,6,6-HEXAMETHYL-; DTXSID2047723; BRN 0106323; UNII-L0ME5B2ZWY; L0ME5B2ZWY; EINECS 212-582-5; TRITHIOACETONE [FHFI]
| Regulatory & food contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Camphor, Earth, Sulfur No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notifications | 58.5% (79 / 135) |
| GHS notifications | 58.5% (79 / 135) |
|---|---|
| Notified hazard statements | H315 (40.7%), H319 (41.5%), H335 (40.7%) |
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.