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About This Item
Linear Formula:
CH3CH(C6H5)CO2H
CAS Number:
Molecular Weight:
150.17
UNSPSC Code:
12352000
Beilstein/REAXYS Number:
2207688
MDL number:
grade
purum
assay
≥97.0% (T)
optical activity
[α]20/D −75±3°, c = 1.6% in chloroform
refractive index
n20/D 1.523 (lit.)
bp
115 °C/1 mmHg (lit.)
mp
29-30 °C (lit.), 30-31 °C
density
1.1 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
C[C@@H](C(O)=O)c1ccccc1
InChI
1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
InChI key
YPGCWEMNNLXISK-SSDOTTSWSA-N
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
Other Notes
Chiral derivatizing agent used for the assignment of absolute configuration of alcohols and amines by H-NMR ; Determination of enantiomeric purity of alcohols by multidimensional GC-MS, MDGC-MS
Disclaimer
readily forms a fused mass on lowering the temperature
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P. Bravo et al.
The Journal of Organic Chemistry, 54, 5171-5171 (1989)
G. Helmchen et al.
Tetrahedron Letters, 1417-1417 (1977)
G. Full et al.
Journal of High Resolution Chromatography, 16, 642-642 (1993)