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| IUPAC name : | 2-sulfanylpropanoic acid |
| InChI : | InChI=1/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)/f/h4H |
| InChIKey : | PMNLUUOXGOOLSP-JLSKMEETCG |
| SMILES : | CC(C(=O)O)S |
| (EINECS) number : | 201-206-5 |
| cas number : | 79-42-5 |
| beilstein number : | 0506218 |
| fema number : | 3180 |
| coe number : | 11790 |
| jecfa number : | 551 |
| fl. number : | 12.039 |
| molar refractivity : | 25.36 ± 0.3 cm3 |
| parachor : | 222.5 ± 4.0 cm3 |
| index of refraction : | 1.494 ± 0.02 |
| surface tension : | 42.6 ± 3.0 dyne/cm |
| density : | 1.218 ± 0.06 g/cm3 |
| polarizability : | 10.05 ± 0.5 10-24cm3 |
| xlogp : | 0.40 |
| molecular weight : | 106.1435400 |
| formula : | C3 H6 O2 S |
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| fda reg : | unspecified |
h. number : | 2918.11.0000 |
| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | very high |
odor description :
at 0.01 % in propylene glycol. | meaty sulfury roasted |
| taste description³ : | at 15.00 ppm.
Meaty, sulfury, brothy, brown |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.19200 - 1.20000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.919 to 9.985
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| refractive index : | 1.47900 - 1.48400 @ 20.00 °C.
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| melting point : | 10.00 - 14.00 °C. @ 760.00 mm Hg
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| boiling point : | 117.00 °C. @ 16.00 mm Hg
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| boiling point : | 98.00 - 99.00 °C. @ 14.00 mm Hg
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| logp : | 0.45 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 190.00 °F. TCC ( 87.78 °C. )
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| recommendation for 2-mercaptopropionic acid usage levels up to : |
| | not for fragrance use.
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| recommendation for 2-mercaptopropionic acid usage levels up to : |
| | 50.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 201-206-5 |
| rtecs : | UF5250000 for 79-42-5 |
| chemidplus : | 000079425 |
| epa-srs : | 79-42-5 |
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| other : | |
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| references : | |
| pubchem : | 203601 |
| NIST Chemistry WebBook : | 715735476 |
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| reference : | Mosciano, Gerard P&F 17, No. 5, 127, (1992)³ |