1-methoxy-4-(methyl thio) benzene
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
|
| CAS Number: |
1879-16-9
|
| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
1-methoxy-4-(methyl thio) benzene |
| InChI : |
InChI=1/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3 |
| Std.InChI: |
InChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3 |
| InChIKey : |
DQNSKXYRRRCKGH-UHFFFAOYAQ |
| Std.InChIKey: |
DQNSKXYRRRCKGH-UHFFFAOYSA-N |
| SMILES : |
COc1ccc(cc1)SC |
| MDL: |
MFCD00010587 |
| Molar Refractivity : |
45.75 ± 0.4 cm3 (est) |
| Parachor : |
354.6 ± 6.0 cm3 (est) |
| Index of Refraction : |
1.553 ± 0.03
(est) |
| Surface Tension : |
38.0 ± 5.0 dyne/cm (est) |
| Density : |
1.08 ± 0.1 g/cm3 (est) |
| Polarizability : |
18.13 ± 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 |
| Specific Gravity: | 1.11100 to 1.11500 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 9.255 to 9.289 |
| Refractive Index: | 1.57700 to 1.58100 @ 20.00 °C. |
| Boiling Point: | 253.40 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 226.00 °F. TCC ( 107.78 °C. ) |
| logP (o/w): | 3.080 (est) |
| Soluble in: |
| | water, 377.7 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 1-methoxy-4-(methyl thio) benzene usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 1-methoxy-4-(methyl thio) benzene flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | anisole, p-(methylthio)- (8CI) |
| p- | anisyl methyl sulfide |
| | benzene, 1-methoxy-4-(methylthio)- (9CI) |
| 1- | methoxy-4-(methylthio)benzene |
| 1- | methoxy-4-methylsulfanylbenzene |
| 1- | methoxy-4-methylthiobenzene |
| p- | methoxyphenyl methyl sulfide |
| 4- | methoxythioanisole |
| | methyl 4-methoxyphenyl sulfide |
| | methyl p-methoxyphenyl sulfide |
| 4-( | methylthio)anisole |
| p-( | methylthio)anisole |
| | MMTB |
