| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 2506-35-6 |
| FDA UNII: | Search |
| Category: | flavoring agents |
| IUPAC Name: | methane dithiol diacetate |
| InChI : | InChI=1/C5H8O2S2/c1-4(6)8-3-9-5(2)7/h3H2,1-2H3 |
| Std.InChI: | InChI=1S/C5H8O2S2/c1-4(6)8-3-9-5(2)7/h3H2,1-2H3 |
| InChIKey : | VKHBHEJHXRMVGJ-UHFFFAOYAR |
| Std.InChIKey: | VKHBHEJHXRMVGJ-UHFFFAOYSA-N |
| SMILES : | CC(=O)SCSC(=O)C |
| Molar Refractivity : | 41.26 ± 0.3 cm3 (est) |
| Parachor : | 342.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.531 ± 0.02 (est) |
| Surface Tension : | 43.6 ± 3.0 dyne/cm (est) |
| Density : | 1.232 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.35 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.23200 @ 25.00 °C. |
| Refractive Index: | 1.53000 @ 20.00 °C. |
| Boiling Point: | 211.00 °C. @ 760.00 mm Hg |
| Soluble in: | |
| alcohol | |
| water, 1.396e+005 mg/L @ 25 °C (est) | |
| None found |
| None found |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| Recommendation for methane dithiol diacetate usage levels up to: | |||
| not for fragrance use. | |||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11600725 |
| National Institute of Allergy and Infectious Diseases:Data |
| S-(acetylsulfanylmethyl) ethanethioate |
| S-(acetylsulfanylmethyl) ethanethioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11600725 |
| Pubchem (sid): | 313606165 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| None Found |
| None Found |
| not found in nature |
| S-( | acetylsulfanylmethyl) ethanethioate |
| methanedithiol diacetate |
| None found yet. Try the PubMed Search. |
