cis-3,5-diethyl-1,2,4-trithiolane
natural substances and extractives
| 2D: |
 |
| 3D: |
|
| CAS Number: |
38348-25-3
|
| FDA UNII: |
V2YE273DGE |
| Category: |
natural substances and extractives |
| IUPAC Name: |
cis-3,5-diethyl-1,2,4-trithiolane |
| InChI : |
InChI=1/C6H12S3/c1-3-5-7-6(4-2)9-8-5/h5-6H,3-4H2,1-2H3/t5-,6+ |
| Std.InChI: |
InChI=1S/C6H12S3/c1-3-5-7-6(4-2)9-8-5/h5-6H,3-4H2,1-2H3/t5-,6+ |
| InChIKey : |
WQXXXHMEBYGSBG-OLQVQODUBL |
| Std.InChIKey: |
WQXXXHMEBYGSBG-OLQVQODUSA-N |
| SMILES : |
CC[C@@H]1S[C@@H](SS1)CC |
| Molar Refractivity : |
52.36 ± 0.3 cm3 (est) |
| Parachor : |
414.9 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.558 ± 0.02
(est) |
| Surface Tension : |
42.7 ± 3.0 dyne/cm (est) |
| Density : |
1.111 ± 0.06 g/cm3 (est) |
| Polarizability : |
20.75 ± 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 |
| Soluble in: |
| | water, 106.9 mg/L @ 25 °C (est) |
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: |
| natural substances and extractives |
| Recommendation for cis-3,5-diethyl-1,2,4-trithiolane usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for cis-3,5-diethyl-1,2,4-trithiolane flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| (3S,5R)-3,5- | diethyl-1,2,4-trithiolane |
| 3,5- | diethyl-1,2,4-trithiolane, (Z)- |
| 1,2,4- | trithiolane, 3,5-diethyl-, cis- |
