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2-Mercaptopropionsäure
FEMA 3810 · THIOLACTIC ACID · FEMA 3180 · thiolactic · Thiomilchsure · Thio Latic Acid · 2-thiolacticacid · 2-Thiolactic acid
Identifikatoren & physikalische Daten
| CAS No. | 79-42-5 |
|---|---|
| Summenformel | C3H6O2S |
| Durchschnittliche Molmasse | 106,15 g/mol |
| Monoisotopische Masse | 106,00885043 g/mol |
| SMILES | CC(S)C(=O)O |
| InChIKey | PMNLUUOXGOOLSP-UHFFFAOYSA-N |
| PubChem CID | 62326 |
| ChEMBL | CHEMBL2158192 |
| ChEBI | CHEBI:47872 |
| EC No. | 201-206-5 |
| DTXSID | DTXSID80861636 |
| Lokaler Name | 2-Mercaptopropionsäure |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 61,8 |
| Stoffklassen | Other Classes -> Organic AcidsFlammable agents - 2nd degree |
| Kosmetika | DepilatoryHair waving or straighteningReducingAntioxidant |
| Duftstoffe | Fragrance Ingredient (2-Mercaptopropionic acid) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.192-1.2001.196 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | miscible in water, alcohol, ether and acetone1 mL in 1 mL 95% alcohol (in ethanol)1g/L in organic solvents at 20 ℃ |
| Siedepunkt | 117.00 °C. @ 16.00 mm Hg117 °C102 °C/16 mmHg (lit.) 203-208 °C (lit.) |
| Schmelzpunkt | 12 °C10-14 °C (lit.) |
| Brechungsindex | 1.479-1.484n20/D 1.481(lit.) |
| Physical Description | Thiolactic acid appears as an oily liquid with an unpleasant odor. Toxic by ingestion and skin absorption. Used as a depilatory and in hair waving preparations.Liquid with a disagreeable odormp = 10 deg C[Merck Index] Colorless liquid with a stenchmp = 10-14 deg C[Alfa Aesar MSDS]colourless to pale yellow liquid with roasted, meaty odour |
| Dampfdruck | 1.7 hPa (20 °C) |
| FEMA | 3180 | 2-MERCAPTOPROPIONIC ACID |
| Flammpunkt | 190 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | pK1:4.32(0)pK2:10.20(SH) (25°C) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| pH | 2 (H2O, 20℃)(undiluted) |
| Geruch | at 0.01 % in propylene glycol. meaty sulfurous roasted |
| Geruchsart | sulfurous |
| Biologische Quelle | synthetic |
| JECFA Number | 551 |
| Merck | 14,9340 |
| BRN | 506218 |
| Kosmetik-Inhaltsstoffe Funktionen | DEPILATORYANTIOXIDANTFRAGRANCEHAIR WAVING OR STRAIGHTENINGREDUCING |
| InChI | 1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5) |
| InChIKey | PMNLUUOXGOOLSP-UHFFFAOYSA-N |
| SMILES | CC(S)C(O)=O |
| LogP (Verteilungskoeffizient) | 1.15 at 20℃ |
| CAS Datenbank | 79-42-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Mercaptopropanoic acid(79-42-5) |
| EPA chemische Informationen | Propanoic acid, 2-mercapto- (79-42-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (86.3%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1491 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 2-mercapto-Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/262632-Mercaptopropionic acid: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily. |
| Gesundheitsgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| Gefahrenübersicht | Safe when used as a flavoring agent in food[JECFA] Toxic by ingestion and skin absorption[CAMEO] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by ingestion[Alfa Aesar MSDS] |
| DOT-Nummer und Handbuch | 2936 153 |
| Reaktive Gruppe | Acids, Carboxylic |
| Reactivity Profile | THIOLACTIC ACID is an organosulfide/organic acid. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in waterthose with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactionslike other acids, they often catalyze (increase the rate of) chemical reactions. |
| DOT Hazard Classification | Thiolactic acidUN2936Div 6.1 Poisonous materials (49 eCFR § 173.132)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Soluble in water and denser than water. |
| Hazard Classes and Categories | Acute Tox. 3 (86.3%)Flammable agents - 2nd degree |
| Brandbekämpfung | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Emergency Response Planning Guidelines | Small Fire |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Toxicity Data | LCLo (rat) = 700 ppm |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2936 |
| Zollcode | 29309070 |
| RTECS-Nr. | UF5250000 |
| R-Sätze (R) | 34-22 |
| Toxizität | LD50 orally in Rabbit: 730 mg/kg |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-25 |
| Gefahrenklasse | 6.1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Depilatory, hair-waving preparations.
Herstellung & Synthese
synthetische
By electrolysis of the corresponding sulfide, S(SCHMeCO2H)2.