4-ethyl thiophenol
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
|
| CAS Number: |
4946-13-8
|
| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
4-ethyl thiophenol |
| InChI : |
InChI=1/C8H10S/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 |
| Std.InChI: |
InChI=1S/C8H10S/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 |
| InChIKey : |
WWQQPHUHTAZWDH-UHFFFAOYAS |
| Std.InChIKey: |
WWQQPHUHTAZWDH-UHFFFAOYSA-N |
| SMILES : |
CCC1=CC=C(C=C1)S |
| MDL: |
MFCD00040229 |
| Molar Refractivity : |
43.97 ± 0.3 cm3 (est) |
| Parachor : |
332.3 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.565 ± 0.02
(est) |
| Surface Tension : |
36.8 ± 3.0 dyne/cm (est) |
| Density : |
1.024 ± 0.06 g/cm3 (est) |
| Polarizability : |
17.43 ± 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: | 211.70 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.300000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 183.00 °F. TCC ( 84.00 °C. ) (est) |
| logP (o/w): | 3.510 (est) |
| Soluble in: |
| | water, 56.24 mg/L @ 25 °C (est) |
Safety Information:
| Preferred SDS: View |
| |
| 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-ethyl thiophenol usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 4-ethyl thiophenol flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | benzenethiol, 4-ethyl- |
| 4- | ethyl benzene thiol |
| 4- | ethylbenzenethiol |
| 4- | ethylphenyl mercaptan |
| 4- | ethylthiophenol |
