2,5-Dimethyl-1,4-dithiane-2,5-diol (CAS 55704-78-4) — formula C6H12O2S2, molecular weight 180.3; category organic chemicals.
| CAS Number | 55704-78-4 |
|---|---|
| Molecular Formula | C6H12O2S2 |
| Molecular Weight | 180.3 |
| Melting Point | 81.00 to 83.00 °C. @ 760.00 mm Hg |
| Boiling Point | 326.00 to 327.00 °C. @ 760.00 mm Hg |
| LogP | 0.6 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 1, 4-Dithiane-2, 5-diol, 2, 5-dimethyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 1, 4-Dithiane-2, 5-diol, 2, 5-dimethyl-: ACTIVE.
2,5-Dimethyl-1,4-dithiane-2,5-diol is a carbon-based organic compound with CAS registry number 55704-78-4 and molecular formula C6H12O2S2 (molecular weight 180.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 55704-78-4
Its molecular formula C6H12O2S2 comprises 6 C, 12 H, 2 O, 2 S atoms.
Also known as: 2,5-Dimethyl-1,4-dithiane-2,5-diol · 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
Category: organic chemicals
The CAS registry number of 2,5-Dimethyl-1,4-dithiane-2,5-diol is 55704-78-4.
Molecular formula C6H12O2S2, molecular weight 180.3.
It is also registered under: 2,5-Dimethyl-1,4-dithiane-2,5-diol, 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 1, 4-Dithiane-2, 5-diol, 2, 5-dimethyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2,5-Dimethyl-1,4-dithiane-2,5-diol (CAS 55704-78-4), compiled from public chemistry databases.
| CAS 号 | 55704-78-4 |
|---|---|
| PubChem CID | 62105 |
| 分子式 | C6H12O2S2 |
| 分子量 | 180.03 g/mol |
| IUPAC 名称 | 2,5-dimethyl-1,4-dithiane-2,5-diol |
| InChIKey | NHKIYYMFGJBOTK-UHFFFAOYSA-N |
| UNII（FDA） | N99176196Z |
| ChEBI 编号 | CHEBI:178973 |
| FEMA 编号 | 3450 |
| JECFA 编号 | 562 |
| Molecular Weight | 180.3 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 180.02787197 |
| Monoisotopic Mass | 180.02787197 |
| Topological Polar Surface Area | 91.1 |
| Heavy Atom Count | 10 |
| Boiling Point | 326.00 to 327.00 °C. @ 760.00 mm Hg |
|---|---|
| Melting Point | 81.00 to 83.00 °C. @ 760.00 mm Hg |
2,5-Dimethyl-1,4-dithiane-2,5-diol; 55704-78-4; 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane; 2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane; 2-Mercaptopropanone; 1,4-Dithiane-2,5-diol, 2,5-dimethyl-; FEMA No. 3450; meaty dithiane; 2,5-Dimethyl-2,5-dihydroxy-p-dithiane; 2,5-Dimethyl-p-dithiane-2,5-diol; 2,5-DIMETHYL-[1,4]DITHIANE-2,5-DIOL; EINECS 259-770-3; NSC 176174; DTXSID3047683; N99176196Z; NSC-176174
| 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 Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|
| 已通报的危害声明 | H302 (99.1%) |
|---|
二聚巯基丙酮 的 CAS 号为 55704-78-4，分子式 C6H12O2S2，分子量 180.03 g/mol。 UNII N99176196Z; ChEBI 178973; InChIKey NHKIYYMFGJBOTK-UHFFFAOYSA-N. Boiling Point: 326.00 to 327.00 °C. @ 760.00 mm Hg; Melting Point: 81.00 to 83.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.