828-01-3
Product Name:
DL-BETA-PHENYLLACTIC ACID
Formula:
C9H10O3
Synonyms:
α-Hydroxyhydrocinnamic acid;β-Phenyllactic acid;2-Hydroxy-3-phenylpropionic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | 98 °C |
LogP | 1.83 |
Collision Cross Section | 137.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
Kovats Retention Index | 1545 |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 166.17 g/mol |
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XLogP3 | 1.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 166.062994177 g/mol |
Monoisotopic Mass | 166.062994177 g/mol |
Topological Polar Surface Area | 57.5 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 150 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-phenyllactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group. It has a role as a human metabolite. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-phenyllactate.