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| IUPAC name : | 2,5-dimethyl-1,4-dithiane-2,5-diol |
| InChI : | InChI=1/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3 |
| InChIKey : | NHKIYYMFGJBOTK-UHFFFAOYAN |
| SMILES : | CC1(CSC(CS1)(C)O)O |
| (EINECS) number : | 259-770-3 |
| cas number : | 55704-78-4 |
| fema number : | 3450 |
| coe number : | 2322 |
| jecfa number : | 562 |
| fl. number : | 15.006 |
| molar refractivity : | 47.17 ± 0.3 cm3 |
| parachor : | 372.1 ± 4.0 cm3 |
| index of refraction : | 1.609 ± 0.02 |
| surface tension : | 55.6 ± 3.0 dyne/cm |
| density : | 1.323 ± 0.06 g/cm3 |
| polarizability : | 18.70 ± 0.5 10-24cm3 |
| xlogp : | 0.70 |
| molecular weight : | 180.2882800 |
| formula : | C6 H12 O2 S2 |
| BioActivity Analysis : | 445785 |
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| IUPAC name : | (2R,5R)-2,5-dimethyl-1,4-dithiane-2,5-diol |
| InChI : | InChI=1/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3/t5-,6-/m1/s1 |
| InChIKey : | NHKIYYMFGJBOTK-PHDIDXHHBB |
| SMILES : | C[C@@]1(CS[C@@](CS1)(C)O)O |
| cas number : | 55704-78-4 |
| molar refractivity : | 47.17 ± 0.3 cm3 |
| parachor : | 372.1 ± 4.0 cm3 |
| index of refraction : | 1.609 ± 0.02 |
| surface tension : | 55.6 ± 3.0 dyne/cm |
| density : | 1.323 ± 0.06 g/cm3 |
| polarizability : | 18.70 ± 0.5 10-24cm3 |
| xlogp : | 0.70 |
| molecular weight : | 180.2882800 |
| formula : | C6 H12 O2 S2 |
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| IUPAC name : | (2R,5S)-2,5-dimethyl-1,4-dithiane-2,5-diol |
| InChI : | InChI=1/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3/t5-,6+ |
| InChIKey : | NHKIYYMFGJBOTK-OLQVQODUBD |
| SMILES : | C[C@@]1(CS[C@](CS1)(C)O)O |
| cas number : | 55704-78-4 |
| molar refractivity : | 47.17 ± 0.3 cm3 |
| parachor : | 372.1 ± 4.0 cm3 |
| index of refraction : | 1.609 ± 0.02 |
| surface tension : | 55.6 ± 3.0 dyne/cm |
| density : | 1.323 ± 0.06 g/cm3 |
| polarizability : | 18.70 ± 0.5 10-24cm3 |
| xlogp : | 0.70 |
| molecular weight : | 180.2882800 |
| formula : | C6 H12 O2 S2 |
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| IUPAC name : | (2S,5S)-2,5-dimethyl-1,4-dithiane-2,5-diol |
| InChI : | InChI=1/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey : | NHKIYYMFGJBOTK-WDSKDSINBR |
| SMILES : | C[C@]1(CS[C@](CS1)(C)O)O |
| cas number : | 55704-78-4 |
| molar refractivity : | 47.17 ± 0.3 cm3 |
| parachor : | 372.1 ± 4.0 cm3 |
| index of refraction : | 1.609 ± 0.02 |
| surface tension : | 55.6 ± 3.0 dyne/cm |
| density : | 1.323 ± 0.06 g/cm3 |
| polarizability : | 18.70 ± 0.5 10-24cm3 |
| xlogp : | 0.70 |
| molecular weight : | 180.2882800 |
| formula : | C6 H12 O2 S2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | meaty |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | pork lamb chicken savory bouillion onion |
| properties : | |
| appearence : | white crystalline solid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 81.00 - 83.00 °C. @ 760.00 mm Hg
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| boiling point : | 326.00 - 327.00 °C. @ 760.00 mm Hg
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| logp : | 1.01 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 145.00 °F. TCC ( 62.78 °C. )
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| recommendation for meaty dithiane usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 259-770-3 |
| chemidplus : | 055704784 |
| epa-srs : | 55704-78-4 |
| dtp/nci : | 176174 |
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| chemidplus : | 55704-78-4 |
| epa-srs : | 55704-78-4 |
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| chemidplus : | 55704-78-4 |
| epa-srs : | 55704-78-4 |
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| chemidplus : | 5362834 |
| epa-srs : | 55704-78-4 |
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| other : | |
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| references : | |
| pubchem : | 198607 |
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| pubchem : | 43753014 |
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| pubchem : | 43597032 |
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| pubchem : | 43597031 |
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