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DL-2-Hydroxy-2-phenylessigsure
DL-Mandelicaci · DL-Mandelic acid · DL-MANDELSAEURE S · DL-AMYGDALIC ACID · MANDELIC ACID, DL- · RARECHEM AL BO 1098 · TIMTEC-BB SBB007730 · (R)(S)-MANDELICACID
Identifikatoren & physikalische Daten
| CAS No. | 611-72-3 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734411 g/mol |
| SMILES | O=C(O)C(O)c1ccccc1 |
| InChIKey | IWYDHOAUDWTVEP-UHFFFAOYSA-N |
| PubChem CID | 1292 |
| ChEMBL | CHEMBL1609 |
| ChEBI | CHEBI:35825 |
| EC No. | 202-007-6 |
| DTXSID | DTXSID6023234 |
| Lokaler Name | DL-2-Hydroxy-2-phenylessigsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 138 |
| Dichte | 1.3 @25 °C1.2890 |
| Siedepunkt | 320 °C @760 [mm Hg]234.6°C (rough estimate) |
| Schmelzpunkt | 119 °C119-121 °C(lit.) |
| Dampfdruck | 0.0000164 [mmHg] |
| Physical Description | LiquidSolidDarkens and decomposes after prolonged light exposure[Merck Index] White crystalline powder with a faint sweet odor[Fisher Scientific MSDS] |
| Kovats Retention Index | 1487 |
| Brechungsindex | 1.4945 (estimate) |
| pKa (Säurekonstante) | 3.85(at 25℃) |
| Löslichkeit | 172.5g/L(24 ºC) |
| InChI | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11) |
| InChIKey | IWYDHOAUDWTVEP-UHFFFAOYSA-N |
| SMILES | C1(C=CC=CC=1)C(O)C(=O)O |
| CAS Datenbank | 611-72-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneacetic acid, «alpha»-hydroxy-, (.+/-.)-(611-72-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25.3% (66 of 261) of reports.DangerH302 (23.4%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (23.8%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (72.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (23.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 261 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 66 of 261 reports by companies.There are 9 notifications provided by 195 of 261 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Benzeneacetic acid, .alpha.-hydroxy-Benzeneacetic acid, .alpha.-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetic acid, .alpha.-hydroxy- 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: 01-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19362Benzeneacetic acid, .alpha.-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzeneacetic acid, .alpha.-hydroxy-: Human health tier I assessmentIMAP assessments - Benzeneacetic acid, .alpha.-hydroxy-: Environment tier I assessment |
| Gefahrenübersicht | Causes gastritis and other liver changes in oral lethal-dose studies of rabbits[RTECS] An irritantChronic exposure may cause kidney injury and digestive tract abnormalities[Fisher Scientific MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (50.5%)Skin Irrit. 2 (86.5%)Eye Dam. 1 (54.1%)Eye Irrit. 2 (44.1%)STOT SE 3 (85.6%)Acute Tox. 4 (23.4%)Skin Irrit. 2 (23.8%)Eye Dam. 1 (72.8%)STOT SE 3 (23.4%) |
| Protective Action Criteria (PAC) | 25 [mg/m3]270 [mg/m3]1600 [mg/m3] |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29181980 |
| RTECS-Nr. | OO6300000 |
| R-Sätze (R) | 21/22 |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Beschreibung
DL-Mandelic acid is a chemical compound belonging to the family of alpha hydroxy acids (AHAs). It is a racemic mixture containing equal amounts of the D and L enantiomers of Mandelic acid. It is commonly used in skincare products for its exfoliating and antibacterial properties. DL-Mandelic Acid is useful in suppressing pigmentation, treating inflammatory non-cystic acne, and rejuvenating photoaged skin. Moreover, it has proven useful in preparing the skin for laser peeling and helping the skin heal after laser surgery. This product appears as a white crystal substance.