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| IUPAC name : | 2-methylbenzenethiol |
| InChI : | InChI=1/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 |
| InChIKey : | LXUNZSDDXMPKLP-UHFFFAOYAN |
| SMILES : | InChI=1/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 |
| (EINECS) number : | 205-276-8 |
| cas number : | 137-06-4 |
| beilstein number : | 0774068 |
| fema number : | 3240 |
| coe number : | 2272 |
| jecfa number : | 528 |
| fl. number : | 12.027 |
| molar refractivity : | 39.25 ± 0.3 cm3 |
| parachor : | 293.4 ± 4.0 cm3 |
| index of refraction : | 1.577 ± 0.02 |
| surface tension : | 37.8 ± 3.0 dyne/cm |
| density : | 1.049 ± 0.06 g/cm3 |
| polarizability : | 15.56 ± 0.5 10-24cm3 |
| xlogp : | 2.60 |
| molecular weight : | 124.2034200 |
| formula : | C7 H8 S |
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| fda reg : | unspecified |
h. number : | 2930.90 |
| organoleptics : | |
| odor type : | meaty |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in propylene glycol. | meaty sulfurous onion garlic egg rubber |
| taste description³ : | at 4.00 ppm. Meaty, onion, garlic, chemical and metallic |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05400 - 1.05900 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.770 to 8.812
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| refractive index : | 1.57500 - 1.58400 @ 20.00 °C.
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| boiling point : | 194.00 - 195.00 °C. @ 760.00 mm Hg
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| boiling point : | 105.00 °C. @ 22.00 mm Hg
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| logp : | 3.23 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 147.00 °F. TCC ( 63.89 °C. )
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| recommendation for ortho-thiocresol usage levels up to : |
| | not for fragrance use.
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| recommendation for ortho-thiocresol usage levels up to : |
| | 4.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 205-276-8 |
| rtecs : | XT8750000 for 137-06-4 |
| chemidplus : | 000137064 |
| epa-srs : | 137-06-4 |
| dtp/nci : | 80655 |
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| other : | |
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| references : | |
| jecfa number : | 528 |
| fl. number : | 12.027 |
| pubchem : | 151868 |
| NIST Chemistry WebBook : | 3515981744 |
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| reference : | Mosciano, Gerard P&F 14, No. 6, 47, (1989)³ |