Grundinformationen
- Standard-SMILES
O=C(O)C(O)c1ccccc1- InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-N- Summenformel
- C8H8O3
- Durchschnittliche Molmasse
- 152,15 g/mol
- Monoisotopische Masse
- 152,04734411
Namen und Bezeichner
- Bevorzugter Name
- Mandelic Acid
- IUPAC
- 2-hydroxy-2-phenylacetic acid
- Lokaler Name
- DL-2-Hydroxy-2-phenylessigsure
- Englischer Name
- DL-Mandelic acid
- Summenformel
- C8H8O3
- Molmasse
- 152.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
611-72-3、90-64-2- PubChem CID
- 1292
- DTXSID
DTXSID6023234- ChEMBL
CHEMBL1609- ChEBI
CHEBI:35825- UNII
- NH496X0UJX
- EC Number
- 202-007-6、210-277-1
- Nikkaji
- J2.433.033H、J2.433.034F、J3.918G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 138
Experimentelle und physikochemische Eigenschaften
Density
1.3 @25 °C
1.3 @25 °C
Physical Description
Liquid
Solid; Darkens and decomposes after prolonged light exposure; [Merck Index] White crystalline powder with a faint sweet odor; [Fisher Scientific MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 119 · 119-121 °C(lit.)
- Siedepunkt
- 234.6 °C · 234.6°C (rough estimate)
- Dichte
- 1.289 · 1.2890
- Brechungsindex
- 1.4945 · 1.4945 (estimate)
- pka
- 3.85 · 3.85(at 25℃)
- Wasserlöslichkeit
- 172.5 g/L · 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 · 611-72-3(CAS DataBase Reference)
- NIST chemische Informationen
- Benzeneacetic acid, «alpha»-hydroxy-, (.+/-.)-(611-72-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 25.3% (66 of 261) of reports.
Danger
H302 (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 exposure; Respiratory 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.
Gefahrenhinweise
Regulatory Information
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/19362
Benzeneacetic acid, .alpha.-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
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%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
25 [mg/m3]
270 [mg/m3]
1600 [mg/m3]
25 [mg/m3]
270 [mg/m3]
1600 [mg/m3]
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
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/19362
Benzeneacetic acid, .alpha.-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29181980
- RTECS-Nr.
- OO6300000
- risk_code
- 21/22
- safety_code
- 22-24/25
Chemie und Industrie
Pharmakologische Informationen
ATC Code
J - Antiinfectives for systemic use;J01 - Antibacterials for systemic use;J01X - Other antibacterials;J01XX - Other antibacterials;J01XX06 - Mandelic acid
B - Blood and blood forming organs;B05 - Blood substitutes and perfusion solutions;B05C - Irrigating solutions;B05CA - Antiinfectives;B05CA06 - Mandelic acid
QB - Blood and blood forming organs;QB05 - Blood substitutes and perfusion solutions;QB05C - Irrigating solutions;QB05CA - Antiinfectives;QB05CA06 - Mandelic acid
QJ - Antiinfectives for systemic use;QJ01 - Antibacterials for systemic use;QJ01X - Other antibacterials;QJ01XX - Other antibacterials;QJ01XX06 - Mandelic acid
Verwendung und Herstellung
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzeneacetic acid, .alpha.-hydroxy-: ACTIVE
Anwendungen
BeschreibungDL-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.
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