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About This Item
Empirical Formula (Hill Notation):
C12H14O4
CAS Number:
Molecular Weight:
222.24
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
Quality Level
Assay
≥98% (HPLC)
form
solid
color
white
mp
86-87 °C (lit.)
solubility
DMSO: 24 mL/mL
H2O: insoluble
SMILES string
CCCCC(=O)Oc1ccccc1C(O)=O
InChI
1S/C12H14O4/c1-2-3-8-11(13)16-10-7-5-4-6-9(10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)
InChI key
WJHZBTMHUNVIKC-UHFFFAOYSA-N
Related Categories
Biochem/physiol Actions
Selective, irreversible COX-1 inhibitor. The selectivity for COX-1 vs COX-2 shows the IC50 values for ovine COX-1 vs COX-2 of 0.8 μM vs. 15 mM respectively.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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