2-Methyl-1,3-dithiolane (CAS No. 5616-51-3) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals；Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
Organic Chemicals；Flavors
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The CAS number of 2-Methyl-1,3-dithiolane is 5616-51-3.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Organic Chemicals；Flavors.
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2-Methyl-1,3-dithiolane is identified by CAS 5616-51-3, molecular formula C4H8S2 and molecular weight 120.01 g/mol. UNII 4O81R0SPR0; InChIKey CARJCVDELAMAEJ-UHFFFAOYSA-N. Boiling Point: 65.00 °C. @ 10.00 mm Hg; Boiling Point: 65 °C (10 mm Hg); Density: 1.153 (d20/4).
| CAS Registry Number | 5616-51-3 |
|---|---|
| PubChem CID | 21828 |
| Molecular formula | C4H8S2 |
| Molecular weight | 120.01 g/mol |
| IUPAC name | 2-methyl-1,3-dithiolane |
| InChIKey | CARJCVDELAMAEJ-UHFFFAOYSA-N |
| UNII (FDA) | 4O81R0SPR0 |
| FEMA number | 3705 |
| JECFA number | 534 |
| Molecular Weight | 120.2 |
|---|---|
| XLogP3 | 1.8 |
| 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 |
| Formal Charge | 0 |
| Boiling Point | 65.00 °C. @ 10.00 mm Hg |
|---|---|
| Boiling Point | 65 °C (10 mm Hg) |
| Density | 1.153 (d20/4) |
| Refractive Index | 1.564-1.574 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Sulfur No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 98.9% (89 / 90) |
| GHS notification summary | 98.9% (89 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 90 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
2-Methyl-1,3-dithiolane; 5616-51-3; 1,3-DITHIOLANE, 2-METHYL-; 2-Methyl-1,3-dithiacyclopentane; FEMA No. 3705; EINECS 227-038-2; UNII-4O81R0SPR0; NSC 227863; 4O81R0SPR0; NSC-227863; DTXSID8063963; 2-METHYL-1,3-DITHIOLANE [FHFI]; RefChem:87969; DTXCID6042028; 227-038-2; CARJCVDELAMAEJ-UHFFFAOYSA-N
CAS 5616-51-3; molecular formula C4H8S2; molecular weight 120.01 g/mol.
2-Methyl-1,3-dithiolane, 5616-51-3, 1,3-DITHIOLANE, 2-METHYL-, 2-Methyl-1,3-dithiacyclopentane, FEMA No. 3705, EINECS 227-038-2.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
98.9% of GHS notifications report no hazard classification (89 of 90).
Boiling Point: 65.00 °C. @ 10.00 mm Hg; Boiling Point: 65 °C (10 mm Hg); Density: 1.153 (d20/4); Refractive Index: 1.564-1.574.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.
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