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| IUPAC name : | propane-1,3-dithiol |
| InChI : | InChI=1/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2 |
| InChIKey : | ZJLMKPKYJBQJNH-UHFFFAOYAS |
| SMILES : | C(CS)CS |
| (EINECS) number : | 203-706-9 |
| cas number : | 109-80-8 |
| beilstein number : | 1071197 |
| fema number : | 3588 |
| coe number : | 11929 |
| jecfa number : | 525 |
| fl. number : | 12.076 |
| molar refractivity : | 31.74 ± 0.3 cm3 |
| parachor : | 255.2 ± 4.0 cm3 |
| index of refraction : | 1.509 ± 0.02 |
| surface tension : | 33.4 ± 3.0 dyne/cm |
| density : | 1.019 ± 0.06 g/cm3 |
| polarizability : | 12.58 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 108.2256200 |
| formula : | C3 H8 S2 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| 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 sulfur |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.07700 - 1.07800 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.962 to 8.970
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| refractive index : | 1.53700 - 1.53900 @ 20.00 °C.
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| melting point : | -79.00 °C. @ 760.00 mm Hg
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| boiling point : | 169.00 - 173.00 °C. @ 760.00 mm Hg
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| boiling point : | 105.00 °C. @ 100.00 mm Hg
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| logp : | 1.70 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Mouse 1070.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 138.00 °F. TCC ( 58.89 °C. )
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| recommendation for 1,3-propane dithiol usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 203-706-9 |
| rtecs : | TZ2585500 for 109-80-8 |
| chemidplus : | 000109808 |
| epa-srs : | 109-80-8 |
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| other : | |
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| references : | |
| jecfa number : | 525 |
| fl. number : | 12.076 |
| pubchem : | 151128 |
| NIST Chemistry WebBook : | 2523540501 |
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