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| IUPAC name : | methylsulfanylmethylbenzene |
| InChI : | InChI=1/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey : | OFQPKKGMNWASPN-UHFFFAOYAM |
| SMILES : | CSCC1=CC=CC=C1 |
| (EINECS) number : | 212-174-7 |
| cas number : | 766-92-7 |
| fema number : | 3597 |
| jecfa number : | 460 |
| fl. number : | 12.077 |
| molar refractivity : | 43.79 ± 0.3 cm3 |
| parachor : | 334.5 ± 4.0 cm3 |
| index of refraction : | 1.556 ± 0.02 |
| surface tension : | 36.3 ± 3.0 dyne/cm |
| density : | 1.014 ± 0.06 g/cm3 |
| polarizability : | 17.36 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 138.2300000 |
| formula : | C8 H10 S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | burnt |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | roasted burnt beef pork lamb chicken |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01500 - 1.02000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.446 to 8.487
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| refractive index : | 1.56300 - 1.57300 @ 20.00 °C.
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| boiling point : | 196.00 - 198.00 °C. @ 760.00 mm Hg
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| boiling point : | 87.00 - 88.00 °C. @ 11.00 mm Hg
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| logp : | 2.63 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 161.00 °F. TCC ( 71.67 °C. )
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| recommendation for benzyl methyl sulfide usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 212-174-7 |
| chemidplus : | 000766927 |
| epa-srs : | 766-92-7 |
| dtp/nci : | 75125 |
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| other : | |
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| references : | |
| pubchem : | 156369 |
| NIST Chemistry WebBook : | 1359622030 |
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