1,4-Dithiane (CAS 505-29-3) — formula C4H8S2, molecular weight 120.01 g/mol; category organic chemicals.
| CAS Number | 505-29-3 |
|---|---|
| Molecular Formula | C4H8S2 |
| Molecular Weight | 120.01 g/mol |
| Melting Point | 112.3 °C |
| Boiling Point | 115.6 °C at 60 mm Hg |
| LogP | log Kow = 0.77 |
| Applications | Uses: Associated with production and storage of munitions, [ChemIDplus] Used in organic synthesis, [HSDB] Used as flavoring agent, [JECFA], Used in organic synthesis, Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Methods of Manufacturing: Interaction of dichloroethyl sulfide with sodium or potassium sulfide., General Manufacturing Information: 1, 4-Dithiane: ACTIVE, A common degradation product of HD (purified form of sulfur mustard) that persists in the environment. |
| Category | Organic Chemicals |
Documented applications: Uses: Associated with production and storage of munitions, [ChemIDplus] Used in organic synthesis, [HSDB] Used as flavoring agent, [JECFA], Used in organic synthesis, Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Methods of Manufacturing: Interaction of dichloroethyl sulfide with sodium or potassium sulfide., General Manufacturing Information: 1, 4-Dithiane: ACTIVE, A common degradation product of HD (purified form of sulfur mustard) that persists in the environment..
1,4-Dithiane is a carbon-based organic compound with CAS registry number 505-29-3 and molecular formula C4H8S2 (molecular weight 120.01 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 505-29-3
Its molecular formula C4H8S2 comprises 4 C, 8 H, 2 S atoms.
Also known as: 1,4-Dithiane · 1,4-二噻烷
Category: organic chemicals
The CAS registry number of 1,4-Dithiane is 505-29-3.
Molecular formula C4H8S2, molecular weight 120.01 g/mol.
It is also registered under: 1,4-Dithiane, 1,4-二噻烷.
Recorded applications: Uses: Associated with production and storage of munitions, [ChemIDplus] Used in organic synthesis, [HSDB] Used as flavoring agent, [JECFA], Used in organic synthesis, Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Methods of Manufacturing: Interaction of dichloroethyl sulfide with sodium or potassium sulfide., General Manufacturing Information: 1, 4-Dithiane: ACTIVE, A common degradation product of HD (purified form of sulfur mustard) that persists in the environment..
Category: Organic Chemicals.
Independent reference data for 1,4-Dithiane (CAS 505-29-3), compiled from public chemistry databases.
| CAS Registry Number | 505-29-3 |
|---|---|
| PubChem CID | 10452 |
| Molecular formula | C4H8S2 |
| Molecular weight | 120.01 g/mol |
| IUPAC name | 1,4-dithiane |
| InChIKey | LOZWAPSEEHRYPG-UHFFFAOYSA-N |
| UNII (FDA) | 3274B1T5A0 |
| ChEBI ID | CHEBI:540 |
| FEMA number | 3831 |
| JECFA number | 456 |
| Molecular Weight | 120.2 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 120.00674260 |
| Monoisotopic Mass | 120.00674260 |
| Topological Polar Surface Area | 50.6 |
| Heavy Atom Count | 6 |
| Boiling Point | 115.6 °C at 60 mm Hg |
|---|---|
| Boiling Point | 199.00 to 200.00 °C. @ 760.00 mm Hg |
| Boiling Point | 199-200 °C |
| Melting Point | 112.3 °C |
| Melting Point | 112 - 113 °C |
| Solubility | In water, 3,000 mg/L at 25 °C |
| Solubility | 3 mg/mL at 25 °C |
| Vapor Pressure | 1.57 [mmHg] |
| Vapor Pressure | 0.80 mm Hg at 25 °C |
| LogP | log Kow = 0.77 |
1,4-DITHIANE; 505-29-3; p-Dithiane; 1,4-Dithiacyclohexane; Diethylene disulfide; p-Dithane; p-Dithiin, tetrahydro-; DTXSID3024077; NSC-24178; CHEBI:540; 3274B1T5A0; DTXCID304077; FEMA NO. 3831; RefChem:73347; 208-007-2; para-Dithiane
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 896-JECFA 53/32 |
|---|
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
1,4-Dithiane is identified by CAS 505-29-3, molecular formula C4H8S2 and molecular weight 120.01 g/mol. UNII 3274B1T5A0; ChEBI 540; InChIKey LOZWAPSEEHRYPG-UHFFFAOYSA-N. Boiling Point: 115.6 °C at 60 mm Hg; Boiling Point: 199.00 to 200.00 °C. @ 760.00 mm Hg; Boiling Point: 199-200 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,4-二噻烷