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| IUPAC name : | 1,4-dithiane-2,5-diol |
| InChI : | InChI=1/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2 |
| InChIKey : | YUIOPHXTILULQC-UHFFFAOYAV |
| SMILES : | C1C(SCC(S1)O)O |
| (EINECS) number : | 254-751-6 |
| cas number : | 40018-26-6 |
| fema number : | 3826 |
| jecfa number : | 550 |
| molar refractivity : | 37.95 ± 0.3 cm3 |
| parachor : | 284.6 ± 4.0 cm3 |
| index of refraction : | 1.689 ± 0.02 |
| surface tension : | 67.3 ± 3.0 dyne/cm |
| density : | 1.531 ± 0.06 g/cm3 |
| polarizability : | 15.04 ± 0.5 10-24cm3 |
| xlogp : | -0.10 |
| molecular weight : | 152.2351200 |
| formula : | C4 H8 O2 S2 |
| BioActivity Analysis : | 406527 |
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| IUPAC name : | (2R,5R)-1,4-dithiane-2,5-diol |
| InChI : | InChI=1/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2/t3-,4-/m1/s1 |
| InChIKey : | YUIOPHXTILULQC-QWWZWVQMBQ |
| SMILES : | C1[C@@H](SC[C@@H](S1)O)O |
| cas number : | 40018-26-6 |
| molar refractivity : | 37.95 ± 0.3 cm3 |
| parachor : | 284.6 ± 4.0 cm3 |
| index of refraction : | 1.689 ± 0.02 |
| surface tension : | 67.3 ± 3.0 dyne/cm |
| density : | 1.531 ± 0.06 g/cm3 |
| polarizability : | 15.04 ± 0.5 10-24cm3 |
| xlogp : | -0.10 |
| molecular weight : | 152.2351200 |
| formula : | C4 H8 O2 S2 |
| BioActivity Analysis : | 406527 |
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| IUPAC name : | (2R,5S)-1,4-dithiane-2,5-diol |
| InChI : | InChI=1/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2/t3-,4+ |
| InChIKey : | YUIOPHXTILULQC-ZXZARUISBO |
| SMILES : | C1[C@@H](SC[C@H](S1)O)O |
| cas number : | 40018-26-6 |
| molar refractivity : | 37.95 ± 0.3 cm3 |
| parachor : | 284.6 ± 4.0 cm3 |
| index of refraction : | 1.689 ± 0.02 |
| surface tension : | 67.3 ± 3.0 dyne/cm |
| density : | 1.531 ± 0.06 g/cm3 |
| polarizability : | 15.04 ± 0.5 10-24cm3 |
| xlogp : | -0.10 |
| molecular weight : | 152.2351200 |
| formula : | C4 H8 O2 S2 |
| BioActivity Analysis : | 406527 |
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| IUPAC name : | (2S,5S)-1,4-dithiane-2,5-diol |
| InChI : | InChI=1/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2/t3-,4-/m0/s1 |
| InChIKey : | YUIOPHXTILULQC-IMJSIDKUBE |
| SMILES : | C1[C@H](SC[C@H](S1)O)O |
| cas number : | 40018-26-6 |
| molar refractivity : | 37.95 ± 0.3 cm3 |
| parachor : | 284.6 ± 4.0 cm3 |
| index of refraction : | 1.689 ± 0.02 |
| surface tension : | 67.3 ± 3.0 dyne/cm |
| density : | 1.531 ± 0.06 g/cm3 |
| polarizability : | 15.04 ± 0.5 10-24cm3 |
| xlogp : | -0.10 |
| molecular weight : | 152.2351200 |
| formula : | C4 H8 O2 S2 |
| BioActivity Analysis : | 406527 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | sulfury meaty toasted bread broth egg tomato |
| taste description³ : | at 0.25 - 10.00 ppm.
Metallic, meaty savory chicken and beef, sulfurous, egg-yolk like |
| properties : | |
| appearence : | white to pale yellow powder |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| melting point : | 130.00 °C. @ 760.00 mm Hg
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| logp : | -0.07 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 348.00 °F. TCC ( 175.56 °C. )
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| recommendation for 2,5-dihydroxy-1,4-dithiane usage levels up to : |
| | not for fragrance use.
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| recommendation for 2,5-dihydroxy-1,4-dithiane usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 254-751-6 |
| chemidplus : | 040018266 |
| epa-srs : | 40018-26-6 |
| dtp/nci : | 106280 |
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| chemidplus : | 40018-26-6 |
| epa-srs : | 40018-26-6 |
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| chemidplus : | 40018-26-6 |
| epa-srs : | 40018-26-6 |
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| chemidplus : | 40018-26-6 |
| epa-srs : | 40018-26-6 |
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| other : | |
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| references : | |
| pubchem : | 675607 |
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| pubchem : | 43647331 |
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| pubchem : | 43647332 |
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| pubchem : | 43596584 |
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| reference : | Mosciano, Gerard P&F 24, No. 6, 10, (1999)³ |