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| IUPAC name : | 3-sulfanylpentan-2-one |
| InChI : | InChI=1/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3 |
| InChIKey : | SZECUQRKLXRGSJ-UHFFFAOYAR |
| SMILES : | CCC(C(=O)C)S |
| (EINECS) number : | 266-799-5 |
| cas number : | 67633-97-0 |
| fema number : | 3300 |
| coe number : | 2327 |
| jecfa number : | 560 |
| fl. number : | 12.031 |
| molar refractivity : | 33.09 ± 0.3 cm3 |
| parachor : | 285.3 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 13.12 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 118.1973000 |
| formula : | C5 H10 O S |
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| IUPAC name : | (3R)-3-sulfanylpentan-2-one |
| InChI : | InChI=1/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3/t5-/m1/s1 |
| InChIKey : | SZECUQRKLXRGSJ-RXMQYKEDBP |
| SMILES : | CC[C@H](C(=O)C)S |
| cas number : | 67633-97-0 |
| molar refractivity : | 33.09 ± 0.3 cm3 |
| parachor : | 285.3 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 13.12 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 118.1973000 |
| formula : | C5 H10 O S |
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| IUPAC name : | (3S)-3-sulfanylpentan-2-one |
| InChI : | InChI=1/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3/t5-/m0/s1 |
| InChIKey : | SZECUQRKLXRGSJ-YFKPBYRVBX |
| SMILES : | CC[C@@H](C(=O)C)S |
| cas number : | 67633-97-0 |
| molar refractivity : | 33.09 ± 0.3 cm3 |
| parachor : | 285.3 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 13.12 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 118.1973000 |
| formula : | C5 H10 O S |
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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 metallic roasted onion horseradish potato |
| taste description³ : | at 0.02 - 0.20 ppm.
Intense alliaceous, sulfurous, onion with full bodied savory notes of roasted meat |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98800 - 0.99800 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.231 to 8.314
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| refractive index : | 1.41400 - 1.42400 @ 20.00 °C.
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| boiling point : | 160.00 - 165.00 °C. @ 760.00 mm Hg
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| boiling point : | 57.00 °C. @ 15.00 mm Hg
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| logp : | 1.20 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 122.00 °F. TCC ( 50.00 °C. )
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| recommendation for 3-mercapto-2-pentanone usage levels up to : |
| | not for fragrance use.
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| recommendation for 3-mercapto-2-pentanone usage levels up to : |
| | 1.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 266-799-5 |
| chemidplus : | 067633970 |
| epa-srs : | 67633-97-0 |
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| chemidplus : | 67633-97-0 |
| epa-srs : | 67633-97-0 |
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| chemidplus : | 67633-97-0 |
| epa-srs : | 67633-97-0 |
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| other : | |
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| references : | |
| pubchem : | 199021 |
| NIST Chemistry WebBook : | 3785565709 |
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| pubchem : | 44306850 |
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| pubchem : | 44306848 |
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| reference : | Mosciano, Gerard P&F 26, No. 5, 68, (2001)³ |