53790
2-Phenylpropionaldehyde
purum, ≥97.0% (GC)
Synonym(s):
2-Phenylpropanal, Hydratropaldehyde
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About This Item
Linear Formula:
CH3CH(C6H5)CHO
CAS Number:
Molecular Weight:
134.18
EC Number:
202-255-5
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1905601
MDL number:
grade
purum
assay
≥97.0% (GC)
refractive index
n20/D 1.517 (lit.), n20/D 1.518
bp
92-94 °C/12 mmHg (lit.)
density
1.002 g/mL at 20 °C, 1.002 g/mL at 25 °C (lit.)
SMILES string
[H]C(=O)C(C)c1ccccc1
InChI
1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
InChI key
IQVAERDLDAZARL-UHFFFAOYSA-N
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Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
174.2 °F
flash_point_c
79 °C
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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C D Thompson et al.
Chemical research in toxicology, 9(8), 1225-1229 (1996-12-01)
We propose that 3-carbamoyl-2-phenylpropionaldehyde is an intermediate in the metabolism of felbamate, an anti-epileptic drug with a unique profile of the therapeutic activity, and undergoes a cascade of chemical reactions responsible for the toxic properties of the parent drug. To
Robert J Parker et al.
Chemical research in toxicology, 18(12), 1842-1848 (2005-12-20)
Evidence has been presented suggesting that a reactive metabolite, 2-phenylpropenal (ATPAL), may be responsible for the toxicities observed during therapy with the antiepileptic drug felbamate (FBM). Formation of ATPAL from its unstable immediate precursor, 3-carbamoyl-2-phenylpropionaldedhyde (CBMA) requires the loss of
M Popović et al.
Chemical research in toxicology, 17(12), 1568-1576 (2004-12-21)
Felbamate (2-phenyl-1,3-propanediol dicarbamate, FBM) can cause aplastic anemia and hepatotoxicity. The mechanism of FBM-induced toxicities is unknown; however, it has been proposed that 2-phenylpropenal, a reactive metabolite of FBM, is responsible. The pathway leading to this metabolite involves hydrolysis of