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Methyl DL-Mandelate
[CAS# 771-90-4]

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Identification
Name Methyl DL-Mandelate
Synonyms Methyl 2-Hydroxy-2-Phenyl-Acetate; 2-Hydroxy-2-Phenylacetic Acid Methyl Ester; 2-Hydroxy-2-Phenyl-Acetic Acid Methyl Ester
Molecular Structure CAS#: 771-90-4, Methyl DL-Mandelate
Molecular Formula C9H10O3
Molecular Weight 166.18
CAS Registry Number 771-90-4
EINECS 212-240-5
SMILES C1=C(C(C(OC)=O)O)C=CC=C1
InChI 1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3
InChIKey ITATYELQCJRCCK-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 56°C (Expl.)
Boiling point 135°C (Expl.)
258.136°C at 760 mmHg (Cal.)
Flash point 113.1±14.5°C (Cal.)
110°C (Expl.)
References
(1) Merwe Albrecht, Ana Borba, Katia Le Barbu-Debus, Birger Dittrich, Rui Fausto, Stefan Grimme, Ahmed Mahjoub, Marija Nedić, Ulrich Schmitt, Lena Schrader, Martin A. Suhm, Anne Zehnacker-Rentien and Julia Zischang. Chirality influence on the aggregation of methyl mandelate, New J. Chem., 2010, 34, 1266.
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