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About This Item
Empirical Formula (Hill Notation):
C12H14O4
CAS Number:
Molecular Weight:
222.24
Beilstein:
979481
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Assay
≥97.0% (GC)
manufacturer/tradename
Wacker Chemie AG
bp
154 °C/1 hPa (lit.)
solubility
H2O: soluble
density
1.160 g/mL at 20 °C (lit.)
SMILES string
CCOC(=O)CC(=O)c1ccc(OC)cc1
InChI
1S/C12H14O4/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
InChI key
KRAHENMBSVAAHD-UHFFFAOYSA-N
General description
Ethyl 3-(4-methoxyphenyl)-3-oxopropionate is a yellow to very dark yellow liquid or viscous liquid. It undergoes one-pot two-step sequential reaction involving arylhydrazines, β-ketone esters, formaldehyde and styrenes in glycerol. It undergoes Pechmann condensation with resorcinol and 2-methylresorcinol to form 7-hydroxy-4-(4-methoxyphenyl)coumarin and 7-hydroxy-8-methyl-4-(4-methoxyphenyl)coumarin respectively.
Other Notes
prices for bulk quantities on request
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
239.0 °F - closed cup
Flash Point(C)
115 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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