3-Phenyllactic acid - CAS 828-01-3
Catalog: |
BB036913 |
Product Name: |
3-Phenyllactic acid |
CAS: |
828-01-3 |
Synonyms: |
DL-3-Phenyllactic acid; DL-3-phenyl Lactic Acid; a-Hydroxybenzenepropanoic Acid; (RS)-3-Phenyllactic Acid; (±)-2-Hydroxy-3-phenylpropanoic Acid; (±)-3-Phenyllactic Acid; (±)-b-Phenyllactic Acid; 2-Hydroxy-3-phenylpropionic Acid; 3-Phenyl-2-hydroxypropanoic Acid; DL-2-Hydroxy-3-phenylpropionic Acid; DL-b-Phenyllactic Acid; NSC 2627; DL-Phenyllactic Acid; a-Hydroxy-b-phenylpropionic Acid; a-Hydroxyphenylpropanoic Acid |
Related CAS: | 7326-19-4 (D-isomer) 20312-36-1 (L-isomer)
|
IUPAC Name: | 2-hydroxy-3-phenylpropanoic acid |
Description: | 3-Phenyllactic acid is a broad-spectrum antimicrobial compound. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)CC(C(=O)O)O |
InChI: | InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) |
InChI Key: | VOXXWSYKYCBWHO-UHFFFAOYSA-N |
Boiling Point: | 331.6±22.0°C at 760 mmHg |
Melting Point: | 97-100°C |
Purity: | ≥99% |
Density: | 1.261 g/cm3 |
Solubility: | Soluble in Acetonitrile (Slightly), DMSO (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD00065928 |
LogP: | 0.67460 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22494897 | 20121012 | L-Phenylalanine catabolism and L-phenyllactic acid production by a phototrophic bacterium, Rubrivivax benzoatilyticus JA2 | Microbiological research |
22660769 | 20121001 | Insight into microwave irradiation and enzyme catalysis in enantioselective resolution of DL-(±)-3-phenyllactic acid | Applied microbiology and biotechnology |
22261863 | 20120501 | Characterization of D-lactate dehydrogenase from Pediococcus acidilactici that converts phenylpyruvic acid into phenyllactic acid | Biotechnology letters |
22276116 | 20120101 | Production and characterization of antifungal compounds produced by Lactobacillus plantarum IMAU10014 | PloS one |
22484960 | 20120101 | Characterization of D-lactate dehydrogenase producing D-3-phenyllactic acid from Pediococcus pentosaceus | Bioscience, biotechnology, and biochemistry |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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