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| IUPAC name : | butane-2,3-dithiol |
| InChI : | InChI=1/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3 |
| InChIKey : | TWWSEEHCVDRRRI-UHFFFAOYAC |
| SMILES : | CC(C(C)S)S |
| (EINECS) number : | 224-870-8 |
| cas number : | 4532-64-3 |
| fema number : | 3477 |
| coe number : | 725 |
| jecfa number : | 539 |
| fl. number : | 12.022 |
| molar refractivity : | 36.29 ± 0.3 cm3 |
| parachor : | 289.7 ± 4.0 cm3 |
| index of refraction : | 1.499 ± 0.02 |
| surface tension : | 30.3 ± 3.0 dyne/cm |
| density : | 0.990 ± 0.06 g/cm3 |
| polarizability : | 14.38 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 122.2522000 |
| formula : | C4 H10 S2 |
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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. | meaty beefy |
| taste description³ : | at ppm.
Sulfureous, fatty and roast beef-Iike with egg, salami and pork nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99500 - 0.99700 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.289 to 8.306
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| refractive index : | 1.51700 - 1.52700 @ 20.00 °C.
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| boiling point : | 86.00 - 87.00 °C. @ 50.00 mm Hg
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| boiling point : | 69.00 - 70.00 °C. @ 28.00 mm Hg
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| logp : | 2.00 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 126.00 °F. TCC ( 52.22 °C. )
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| recommendation for 2,3-butane dithiol usage levels up to : | | | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 224-870-8 |
| chemidplus : | 004532643 |
| epa-srs : | 4532-64-3 |
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| other : | |
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| references : | |
| jecfa number : | 539 |
| fl. number : | 12.022 |
| pubchem : | 203996 |
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| reference : | Mosciano, Gerard P&F 22, No. 3, 47, (1997)³ |
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| synonyms : |
| 2,3- | butane dithiol | | | butane-2,3-dithiol | | 2,3- | butanedithiol | | 2,3- | dimercaptobutane | | | dithione |
| soluble in : |
| | alcohol | | | fats |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | benzyl methyl sulfide |
| 2,5- | dimethyl furan |
| 2,5- | dimethyl pyrazine |
| 2,6- | dimethyl pyrazine |
| 2,4- | dimethyl thiazole |
| 2,6- | dimethyl thiophenol |
| 3,7- | dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide |
| 2,4- | dimethyl-3-oxazoline |
| 2,5- | dimethyl-3-thiofuroyl furan |
| 1,1- | ethane dithiol 1% in ethanol |
| 3- | mercapto-2-butanone |
| 2- | mercapto-3-pentanone |
| | methyl 2-methyl-3-furyl disulfide |
| 2- | methyl 3-(methyl thio) furan 10% in triacetin |
| 2- | methyl-1-methyl thio-2-butene |
| 3- | methyl-2-butane thiol |
| 2- | methyl-3-(methyl thio) pyrazine |
| bis(2- | methyl-3-furyl) disulfide |
| S-(2- | methyl-3-furyl) ethane thioate |
| 3-((2- | methyl-3-furyl)thio)-4-heptanone |
| 2- | methyl-3-tetrahydrofuran thiol |
| | nutty thiazole |
| | propyl 2-mercaptopropionate |
| 2- | pyridinyl methane thiol |
| | roasted butanol |
| | sulfurol |
| | sulfuryl acetate |
| | thialdine |
| 1-(2- | thienyl) butanone |
| 2,4,5- | trimethyl oxazole |
| (odor and/or flavor) used in : |
| | beef | | | coffee | | | egg | | | garlic | | | onion | | | pork | | | roasted | | | salami |
| natural occurrence in : |
| not found in nature |
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