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2-Benzylpropionic acid

Basic information Safety Supplier Related

2-Benzylpropionic acid Basic information

Product Name:
2-Benzylpropionic acid
Synonyms:
  • (+/-)-a-Methylbenzenepropanoic acid
  • 2-Methyl-3-phenylpropanoic acid
  • a-Methyldihydrocinnamic acid
  • a-Methylhydrocinnamic acid
  • Propanoic acid, 2-(phenylmethyl)-
  • 2-Benzylpropanoic acid
  • 2-Methyl-3-phenylpropionic acid
  • α-Methylbenzenepropionic acid
CAS:
1009-67-2
MF:
C10H12O2
MW:
164.2
EINECS:
201-982-5
Product Categories:
  • C10
  • Carbonyl Compounds
  • Carboxylic Acids
  • Building Blocks
  • Carbonyl Compounds
  • Carboxylic Acids
  • Chemical Synthesis
  • Organic Building Blocks
Mol File:
1009-67-2.mol
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2-Benzylpropionic acid Chemical Properties

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)
InChIKey
MCIIDRLDHRQKPH-UHFFFAOYSA-N
SMILES
C1(=CC=CC=C1)CC(C)C(=O)O
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
HS Code 
29163900

MSDS

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2-Benzylpropionic acid Usage And Synthesis

Chemical Properties

white to light yellow crystalline powder or

Uses

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.

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