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| IUPAC name : | tris(methylsulfanyl)methane |
| InChI : | InChI=1/C4H10S3/c1-5-4(6-2)7-3/h4H,1-3H3 |
| InChIKey : | YFMZQCCTZUJXEB-UHFFFAOYAW |
| SMILES : | CSC(SC)SC |
| cas number : | 5418-86-0 |
| beilstein number : | 1733825 |
| molar refractivity : | 44.53 ± 0.3 cm3 |
| parachor : | 340.6 ± 4.0 cm3 |
| index of refraction : | 1.564 ± 0.02 |
| surface tension : | 38.3 ± 3.0 dyne/cm |
| density : | 1.127 ± 0.06 g/cm3 |
| polarizability : | 17.65 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 154.3172000 |
| formula : | C4 H10 S3 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Oxford Chemicals Ltd : | TRIS(METHYLTHIOMETHANE)
≥99.00%, NI, Kosher |
| Sigma-Aldrich-SAFC : | Tris(methylthio)methane
≥98% |
organoleptics :
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| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in propylene glycol. | earthy mushroom musty truffle |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.15000 to 1.16000 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.580 to 9.664
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| refractive index : | 1.57300 to 1.58300 @ 20.00 °C.
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| melting point : | 16.00 °C. @ 760.00 mm Hg
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| boiling point : | 102.00 °C. @ 15.00 mm Hg
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| boiling point : | 70.00 to 72.00 °C. @ 2.00 mm Hg
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| logp : | 2.61 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 204.00 °F. TCC ( 95.56 °C. )
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| recommendation for tris(methyl thio) methane usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | tris(methylsulfanyl)methane
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| chemidplus : | 005418860 |
| EPA Substance Registry Services : | 5418-86-0 |
| NLM Chemical Carcinogenesis Research Information System : | 5418-86-0 |
| NLM Developmental and Reproductive Toxicity : | 5418-86-0 |
| NLM Env. Mutagen Info. Center : | 5418-86-0 |
| NLM GENetic TOXicology : | 5418-86-0 |
| dtp/nci : | 10536 |
references :
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| | tris(methylsulfanyl)methane
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| pubchem : | 714920 |
| NIST Chemistry WebBook : | 639633826 |
other :
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