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3-Mercaptopropan-1,2-diol
MONOTHIOGLYCEROL · 1-THIOGLYCEROL · THIOGLYCEROL · ALPHA-THIOGLYCEROL · 3-Mercaptopropane-1,2-diol · 1-Mercaptoglycerol · THIOGLYCERIN · 1-Monothioglycerol
Identifikatoren & physikalische Daten
| CAS No. | 96-27-5 |
|---|---|
| Summenformel | C3H8O2S |
| Durchschnittliche Molmasse | 108,16 g/mol |
| Monoisotopische Masse | 108,0245005 g/mol |
| SMILES | OCC(O)CS |
| InChIKey | PJUIMOJAAPLTRJ-UHFFFAOYSA-N |
| PubChem CID | 7291 |
| ChEMBL | CHEMBL1398948 |
| ChEBI | CHEBI:74537 |
| EC No. | 202-495-0 |
| DTXSID | DTXSID5046512 |
| Lokaler Name | 3-Mercaptopropan-1,2-diol |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,5 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 32 |
| Stoffklassen | Other Classes -> Sulfur Compounds (Alcohols) |
| Kosmetika | Hair waving or straighteningDepilatoryKeratolyticReducing |
| SpringerMaterials Properties | Optical coefficient |
| Geruch | SLIGHT SULFIDIC |
| Dichte | 1.2951.25 g/mL at 25 °C(lit.) |
| Color/Form | YELLOWISH, VERY VISCOUS LIQUIDCOLORLESS OR PALE YELLOW |
| Löslichkeit | SLIGHTLY SOL IN WATERMISCIBLE WITH ALCOHOLINSOL IN ETHERVERY SOL IN ACETONESLIGHTLY SOL IN BENZENEabsolute ethanol: 1 mL/mLslightly soluble |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| Siedepunkt | 118 °C @ 5 MM HG118 °C5 mm Hg(lit.) |
| Decomposition | WHEN HEATED TO DECOMP, EMITS HIGHLY TOXIC FUMES OF /SULFUR OXIDES/ |
| Brechungsindex | INDEX OF REFRACTION BETWEEN 1.521 & 1.526PH (1 IN 10 SOLN) BETWEEN 3.5 & 7n20/D 1.527(lit.) |
| Physical Description | LiquidWater-white liquidSoluble in water[Hawley] Yellowish hygroscopic liquidSlightly soluble in water[Merck Index] Colorless viscous liquid with a stench[MSDSonline] |
| Schmelzpunkt | <25 °C |
| Dampfdruck | <1 hPa (20 °C) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | pK1:9.43 (25°C,μ=0.5) |
| Farbe | Clear colorless to yellow |
| Geruch | Stench odour |
| pH | 3.5-7.0 |
| Biologische Quelle | synthetic (organic) |
| Merck | 14,9335 |
| BRN | 1732046 |
| Stabilität | Air Sensitive, Hygroscopic |
| Kosmetik-Inhaltsstoffe Funktionen | DEPILATORYKERATOLYTICHAIR WAVING OR STRAIGHTENINGREDUCING |
| InChI | 1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2 |
| InChIKey | PJUIMOJAAPLTRJ-UHFFFAOYSA-N |
| SMILES | OCC(O)CS |
| LogP (Verteilungskoeffizient) | -0.84 at 20℃ |
| CAS Datenbank | 96-27-5(CAS DataBase Reference) |
| NIST chemische Informationen | Monothioglycerol(96-27-5) |
| EPA chemische Informationen | 1,2-Propanediol, 3-mercapto- (96-27-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 362 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Propanediol, 3-mercapto-1,2-Propanediol, 3-mercapto- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Propanediol, 3-mercapto- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 16-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24546Monothioglycerol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Brandpotenzial | FIRE HAZARD: MODERATE. ...CAN REACT WITH OXIDIZING MATERIALS. |
| Gefahrenübersicht | An irritantEffects in high-dose animal studies include lacrimation and convulsions[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (93.9%) |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| F | 3-9-10-13-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29309070 |
| RTECS-Nr. | TY8140000 |
| R-Sätze (R) | 21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-23 |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralSkin Irrit. 2Skin Sens. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 96-27-5(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
1-Thioglycerol is a reagent used in fluorescence, spectroscopy, and microbiology techniques. Varying the concentration of 1-thioglycerol in the preparation of CdSe/CdS core-shell ultrasmall quantum dots (CS-USQDs) allows a precise way to control the size of the shell, with shell size increasing with increased concentration. It is used as a capping agent in the synthesis of nanocrystals analyzed via Raman and UV/Vis spectroscopy. Biologically, 1-thioglycerol stimulates porphyrin synthesis and increases glutamyl-tRNA reductase activity in E. coli grown in an aerobic environment. It was previously a component in hair permanents used to produce waves or curls.
Verwenden
3-Mercapto-1,2-propanediol has been used in a study to assess the manipulation of aqueous growth of CdTe nanocrystals. It has also been used in a study that investigated the effect of surface attachment on ligand binding