| CAS Number: | 122152-29-8 |  3D/inchi
|
| FDA UNII: | X2582LTR1K |
| XlogP3-AA: | 1.40 (est) |
| Molecular Weight: | 148.24796000 |
| Formula: | C5 H8 O S2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| Mixture of isomers ((R/R), (R/S), (S/R) & (S/S) at equal ratio, i.e. 25% of each) (EFFA, 2010a).
Substance no longer supported by Industry (EFSA, 2011ai). |
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.19400 @ 25.00 °C.
|
| Refractive Index: | 1.55200 @ 20.00 °C.
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| Boiling Point: | 235.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 0.052000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 211.00 °F. TCC ( 99.70 °C. ) (est)
|
| logP (o/w): | 2.030 (est) |
| Soluble in: |
| | water, 1.004e+004 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| |
| 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
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| Dermal Toxicity: |
|
Not determined
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| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for 3,5-dimethyl-1,2-dithiolane-4-one usage levels up to: | | | not for fragrance use.
|
| |
| Threshold of Concern: | 540 (μg/person/day) |
| Structure Class: | II |
Safety References:
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
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Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf
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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
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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
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| 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 :526930 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3,5-dimethyl-1,2-dithiolan-4-one |
| Chemidplus:0122152298 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 1,2- | dithiolan-4-one, 3,5-dimethyl- |
Articles:
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