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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) |
| InChIKey : | PMNLUUOXGOOLSP-UHFFFAOYAP |
| SMILES : | CC(C(=O)O)S |
| cas number : | 79-42-5 |
| (EINECS) number : | 201-206-5 |
| 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 (IUPAC) |
| formula : | C3 H6 O2 S |
| NMR Predictor : | Predict |
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| export tariff code : | 2918.11.0000 |
| fda reg : | unspecified |
Suppliers :
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| Endeavour : | 2-Mercaptopropionic acid
98% |
| Frutarom : | 2-MERCAPTOPROPIONIC ACID
≥95.00%, Kosher Odor: Cheese, Sour Suggested Uses: Cheese, Dairy Products, Meat |
| Inoue : | ALPHA-MERCAPTOPROPIONIC ACID
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| Penta : | 2-mercaptopropionic acid
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| SAFC Global® : | 2-Mercaptopropionic acid
≥95%, Kosher Odor: meaty |
| Treatt : | 2-Mercaptopropionic acid
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organoleptics :
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| odor type : | sulfurous |
| odor strength : | very high |
odor description: at 0.01 % in propylene glycol. | meaty sulfurous roasted |
odor description:
| Sulfury, meaty savory, brown with roasted brown nuances Mosciano, Gerard P&F 17, No. 5, 127, (1992) |
taste description: at 15.00 ppm. | Meaty, sulfury, brothy, brown Mosciano, Gerard P&F 17, No. 5, 127, (1992) |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.19200 to 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 to 1.48400 @ 20.00 °C.
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| melting point : | 10.00 to 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 to 99.00 °C. @ 14.00 mm Hg
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| vapor density : | 3.6 ( Air = 1 ) |
| flash point : | 190.00 °F. TCC ( 87.78 °C. )
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| logP (o/w) : | 0.45 |
safety :
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| most important hazard(s) : | C - Corrosive. |
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R 25 - Toxic if swallowed. R 34 - Causes burns. S 01/02 - Keep locked up and out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 2.10 (μg/capita/day) |
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| recommendation for 2-mercaptopropionic acid fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for 2-mercaptopropionic acid flavor usage levels up to : |
| | 50.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2936 |
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| WGK Germany : | 1 |
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| | 2-sulfanylpropanoic acid |
| (EINECS) number : | 201-206-5 |
| RTECS : | UF5250000 for cas# 79-42-5 |
| chemidplus : | 000079425 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 79-42-5 |
references :
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| | 2-sulfanylpropanoic acid |
| fl. number : | 12.039 |
| jecfa number : | 551 |
| NIST Chemistry WebBook : | 715735476 |
| pubchem : | 203601 |
Cosmetics :
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| Cosmetic uses : |
antioxidants
depilatories
hair straightening agents
hair waving agents
masking agents
reducing agents
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other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Household Products : | Search |