4-methyl-1,3-dithiane
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
|
| CAS Number: |
52884-63-6
|
| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
4-methyl-1,3-dithiane |
| InChI : |
InChI=1/C5H10S2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3 |
| Std.InChI: |
InChI=1S/C5H10S2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3 |
| InChIKey : |
HAXRZEWLQORZFV-UHFFFAOYAU |
| Std.InChIKey: |
HAXRZEWLQORZFV-UHFFFAOYSA-N |
| SMILES : |
S1CCC(SC1)C |
| Molar Refractivity : |
39.47 ± 0.3 cm3 (est) |
| Parachor : |
310.5 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.542 ± 0.02 (est) |
| Surface Tension : |
37.6 ± 3.0 dyne/cm (est) |
| Density : |
1.070 ± 0.06 g/cm3 (est) |
| Polarizability : |
15.65 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 201.00 to 202.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.428000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 172.00 °F. TCC ( 77.80 °C. ) (est) |
| logP (o/w): | 2.265 (est) |
| Soluble in: |
| | alcohol |
| | water, 537.6 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
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 |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
| Category: |
| information only not used for fragrances or flavors |
| Recommendation for 4-methyl-1,3-dithiane usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 4-methyl-1,3-dithiane flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
