2-Benzylpropionic acid
- CAS NO.:1009-67-2
- Empirical Formula: C10H12O2
- Molecular Weight: 164.2
- MDL number: MFCD00192301
- EINECS: 201-982-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-02 15:22:07
What is 2-Benzylpropionic acid?
Chemical properties
white to light yellow crystalline powder or
The Uses of 2-Benzylpropionic acid
α-Methylhydrocinnamic acid is suitable for use in the comparative study to investigate the γ-globin inducibility of short-chain fatty acid derivatives (SCFADs) in mice. 1 It may be used as a histone deacetylase (HDAC) inhibitor in the comparative study to investigate the EGFP-induction potency of a number of HDAC inhibitors. 2 It may be used in the study to investigate the selectivity of the sensor based on imprinted poly( o -phenylenediamine) (iPoPD).
The Uses of 2-Benzylpropionic acid
α-Methylhydrocinnamic acid is suitable for use in the comparative study to investigate the γ-globin inducibility of short-chain fatty acid derivatives (SCFADs) in mice. It may be used as a histone deacetylase (HDAC) inhibitor in the comparative study to investigate the EGFP-induction potency of a number of HDAC inhibitors. It may be used in the study to investigate the selectivity of the sensor based on imprinted poly(o-phenylenediamine) (iPoPD).
General Description
α-Methylhydrocinnamic acid (2-methyl-3-phenylpropionic acid, 2-benzylpropionic acid) is a cinnamic acid derivative. Its synthesis by the asymmetric hydrogenation of α-methylcinnamic acid has been reported. α-Methylhydrocinnamic acid, a short chain fatty acid derivative (SCFAD), has been reported to correct the cystic fibrosis transmembrane conductance regulator (ΔF508-CFTR) defect. Conformational studies of 2-methyl-3-phenylpropionic acid has been investigated by NMR spectroscopy. The enantiomers of 2-benzylpropionic acid has been reported to be synthesized using a lipase-catalyzed resolution. (S) (+)-2-methyl-3-phenylpropionic acid participates in the synthesis of optically active (R)-5-methyl-6-phenylhexanoyl azide. L-2-Methyl-3.phenylpropionic acid has been reported to be an inhibitor of carboxypeptidase A. Polymer-supported “Evans” oxazolidinone mediated solid phase asymmetric has been employed in the synthesis of (S)-2-methyl-3-phenylpropionic acid.
Properties of 2-Benzylpropionic acid
Melting point: | 39-41 °C(lit.) |
Boiling point: | 167-168 °C23 mm Hg(lit.) |
Density | 1.065 g/mL at 25 °C(lit.) |
refractive index | 1.5155 (estimate) |
Flash point: | >230 °F |
pka | 4.69±0.10(Predicted) |
form | Crystalline Powder or Crystals |
color | White to light yellow |
InChI | InChI=1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
Safety information for 2-Benzylpropionic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 for 2-Benzylpropionic acid
InChIKey | MCIIDRLDHRQKPH-UHFFFAOYSA-N |
SMILES | C1(=CC=CC=C1)CC(C)C(=O)O |
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