methyl 2-(furyl thio) acetate
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
|
| CAS Number: |
16003-16-0
|
| ECHA EC Number: |
240-137-5 |
| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
methyl 2-(furyl thio) acetate |
| InChI : |
InChI=1/C7H8O3S/c1-9-6(8)5-11-7-3-2-4-10-7/h2-4H,5H2,1H3 |
| Std.InChI: |
InChI=1S/C7H8O3S/c1-9-6(8)5-11-7-3-2-4-10-7/h2-4H,5H2,1H3 |
| InChIKey : |
PZXUQUVMTNDLBH-UHFFFAOYAH |
| Std.InChIKey: |
PZXUQUVMTNDLBH-UHFFFAOYSA-N |
| SMILES : |
COC(=O)CSc1ccco1 |
| Molar Refractivity : |
42.99 ± 0.4 cm3 (est) |
| Parachor : |
356.9 ± 6.0 cm3 (est) |
| Index of Refraction : |
1.530 ± 0.03
(est) |
| Surface Tension : |
43.4 ± 5.0 dyne/cm (est) |
| Density : |
1.23 ± 0.1 g/cm3 (est) |
| Polarizability : |
17.04 ± 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: | 231.70 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.100000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 201.00 °F. TCC ( 93.90 °C. ) (est) |
| logP (o/w): | 1.340 (est) |
| Soluble in: |
| | water, 3118 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: |
| information only not used for fragrances or flavors |
| Recommendation for methyl 2-(furyl thio) acetate usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for methyl 2-(furyl thio) acetate flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | acetic acid, (2-furanylthio)-, methyl ester |
| | acetic acid, 2-(2-furanylthio)-, methyl ester |
| (2- | furanyl thio) acetic acid methyl ester |
| | methyl (2-furylthio)acetate |
| | methyl 2-(furan-2-ylsulfanyl)acetate |
