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3-(4-Methoxybenzoyl)propionic acid

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3-(4-Methoxybenzoyl)propionic acid manufacturers

3-(4-Methoxybenzoyl)propionic acid Basic information
Product Name:3-(4-Methoxybenzoyl)propionic acid
Synonyms:B-(4-METHOXYBENZOYL)-PROPIONIC ACID;BETA-(P-METHOXYBENZOYL)PROPIONIC ACID;AKOS BB-9556;4-(4-METHOXYPHENYL)-4-OXOBUTYRIC ACID;3-(P-METHOXYBENZOYL)PROPIONIC ACID;3-P-ANISOYLPROPIONIC ACID;3-(4-Methoxybenzoyl)propionic acid, 98+%;3-(4-Methoxybenzoyl)propionic acid 97%
CAS:3153-44-4
MF:C11H12O4
MW:208.21
EINECS:221-593-4
Product Categories:C11 to C12;Carbonyl Compounds;Carboxylic Acids;Aromatic Propionic Acids;bc0001
Mol File:3153-44-4.mol
3-(4-Methoxybenzoyl)propionic acid Structure
3-(4-Methoxybenzoyl)propionic acid Chemical Properties
Melting point 148-150 °C(lit.)
Boiling point 307.4°C (rough estimate)
density 1.2252 (rough estimate)
refractive index 1.5020 (estimate)
storage temp. Sealed in dry,Room Temperature
pka4.58±0.17(Predicted)
form powder to crystal
color White to Orange to Green
Water Solubility 18g/L at 25℃
BRN 785074
InChIInChI=1S/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyOMTDIBZSUZNVJK-UHFFFAOYSA-N
SMILESC1(C=CC(OC)=CC=1)C(=O)CCC(=O)O
LogP1.38
CAS DataBase Reference3153-44-4(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
HazardClass IRRITANT
HS Code 29163990
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
3-(4-Methoxybenzoyl)propionic acid Usage And Synthesis
Chemical PropertiesWHITE CRYSTALLINE POWDER
Uses3-(4-Methoxybenzoyl)propionic acid (MBPA), with molecular formula C11H12O4, melts at 419 K and forms inversion dimers via intermolecular hydrogen bonds in its monoclinic crystal structure[1][2].
Synthesis Reference(s)Journal of the American Chemical Society, 70, p. 331, 1948 DOI: 10.1021/ja01181a103
References[1]Ali, S., Rama, N. H., Qadeer, G., & Ruzicka, A. (2008). 3-(4-Methoxybenzoyl)propionic acid. Acta Crystallographica Section E Structure Reports Online, 64(11), o2197–o2197. https://doi.org/10.1107/s1600536808034508
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