2,2,4,4,6,6-hexamethyl-1,3,5-trithiane (CAS 828-26-2) — formula C9H18S3, molecular weight 222.4; category organic chemicals.
2,2,4,4,6,6-hexamethyl-1,3,5-trithiane is a carbon-based organic compound with CAS registry number 828-26-2 and molecular formula C9H18S3 (molecular weight 222.4), 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: 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane · TRITHIOACETONE
Category: organic chemicals
The CAS registry number of 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane is 828-26-2.
Molecular formula C9H18S3, molecular weight 222.4.
It is also registered under: 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane, TRITHIOACETONE.
Category: Organic Chemicals.
Public-database records for 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane (CAS 828-26-2), reproduced here for independent cross-checking.
| GHS 通报统计 | 58.5% (79 / 135) |
|---|---|
| 已通报的危害声明 | H315 (40.7%), H319 (41.5%), H335 (40.7%) |
| 法规与食品接触 | 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 通报统计 | 58.5% (79 / 135) |
| 沸点 | 105.00 to 107.00 °C. @ 10.00 mm Hg |
|---|---|
| 沸点 | 78.5 °C (0.5 mm Hg) |
| 熔点 | 21.8 °C |
| 密度 | 1.062-1.068 |
| 折射率 | 1.537-1.545 |
| CAS 号 | 828-26-2 |
|---|---|
| PubChem CID | 13233 |
| 分子式 | C9H18S3 |
| 分子量 | 222.06 g/mol |
| IUPAC 名称 | 2,2,4,4,6,6-hexamethyl-1,3,5-trithiane |
| InChIKey | NBNWHQAWKFYFKI-UHFFFAOYSA-N |
| UNII（FDA） | L0ME5B2ZWY |
| ChEBI 编号 | CHEBI:174132 |
| FEMA 编号 | 3475 |
| JECFA 编号 | 543 |
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]
| 分子量 | 222.4 |
|---|---|
| XLogP3 | 4.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 0 |
| 精确质量 | 222.05706409 |
| 单同位素质量 | 222.05706409 |
| 拓扑极性表面积 | 75.9 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
2.2.4.4.6.6-三甲基-1.3.5-三噻烷 的 CAS 号为 828-26-2，分子式 C9H18S3，分子量 222.06 g/mol。 UNII L0ME5B2ZWY; ChEBI 174132; InChIKey NBNWHQAWKFYFKI-UHFFFAOYSA-N. 沸点: 105.00 to 107.00 °C. @ 10.00 mm Hg; 沸点: 78.5 °C (0.5 mm Hg); 熔点: 21.8 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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