O-acetyl mandelic acid

Base Information

• Chemical Name: O-acetyl mandelic acid
• CAS No.: 5438-68-6
• Molecular Formula: C10H10O4
• Molecular Weight: 194.18
• Hs Code.: 2918990090
• European Community (EC) Number: 611-131-3,920-886-0
• NSC Number: 14369
• DSSTox Substance ID: DTXSID50279865
• Nikkaji Number: J370.584F
• Mol file: 5438-68-6.mol

Synonyms:O-acetyl mandelic acid;5438-68-6;2-acetyloxy-2-phenylacetic acid;O-Acetylmandelic acid;2-acetoxy-2-phenylacetic acid;2-Acetyloxy-2-phenyl-acetic acid;(R)-(-)-alpha-Acetoxyphenylacetic acid;(S)-(+)-alpha-Acetoxyphenylacetic acid;MFCD00004249;NSC14369;O-acetyl-mandelic acid;2-(ACETYLOXY)-2-PHENYLACETIC ACID;Maybridge1_006465;DL-O-Acetyl Mandelic Acid;SCHEMBL493954;alpha-Acetoxybenzeneacetic acid;(acetyloxy)(phenyl)acetic acid;(S)-(+)-O-Acetylmandelicacid;HMS559N19;OBCUSTCTKLTMBX-UHFFFAOYSA-;acetyl 2-hydroxy-2-phenylacetate;DTXSID50279865;AC-003;CCG-43312;MFCD00662355;NSC 14369;NSC-14369;AKOS005203417;AS-14726;SY008267;SY008268;FT-0600710;FT-0639959;FT-0656365;2-(acetyloxy)-2-phenylacetic acid, AldrichCPR;A830149;A845266;SR-01000633241-1;O-Acetyl mandelic acid

Chemical Property of O-acetyl mandelic acid

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Refractive Index: 1.5430 (estimate)
• Boiling Point: 317.8 °C at 760 mmHg
• Flash Point: 125 °C
• PSA: 63.60000
• Density: 1.259 g/cm³
• LogP: 1.37540
• Water Solubility.: 11.27g/L(25 oC)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

O-Acetyl mandelic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(C1=CC=CC=C1)C(=O)O
• Uses: O-Acetyl Mandelic Acid is a useful reagent for the synthesis of hindered triazolopyridinone derivatives.