Cas no 111393-29-4 (Methyl 3-(3-Oxopropyl)benzoate)

Methyl 3-(3-Oxopropyl)benzoate is a versatile aromatic ester compound featuring both a benzoate ester and a ketone functional group. Its structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, fragrances, and fine chemicals. The presence of the reactive 3-oxopropyl group allows for further functionalization, enabling applications in cross-coupling reactions, condensation processes, and heterocyclic synthesis. The methyl ester moiety enhances solubility in organic solvents, facilitating handling in laboratory and industrial settings. This compound is characterized by its stability under standard conditions, ensuring reliable performance in synthetic workflows. Its balanced reactivity profile makes it suitable for controlled transformations in multi-step syntheses.
Methyl 3-(3-Oxopropyl)benzoate structure
111393-29-4 structure
Product Name:Methyl 3-(3-Oxopropyl)benzoate
CAS No:111393-29-4
MF:C11H12O3
MW:192.211183547974
MDL:MFCD09907977
CID:832768
PubChem ID:10352555
Update Time:2025-05-28

Methyl 3-(3-Oxopropyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-(3-oxopropyl)-, methyl ester
    • 3-(3-Oxo-propyl)-benzoic acid ethyl ester
    • 3-(3-Oxo-propyl)-benzoic acid methyl ester
    • methyl 3-(3-oxopropyl)benzoate
    • 3-(3-Methoxycarbonylphenyl)propanal
    • 3-(3-Oxo-propyl)benzoic acid methyl ester
    • AB54705
    • CTK8G5736
    • KB-26891
    • PubChem20288
    • RL00464
    • Methyl 3-(3-Oxopropyl)benzoate
    • MDL： MFCD09907977
    • Inchi： 1S/C11H12O3/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2,4,6-8H,3,5H2,1H3
    • InChI Key： ZDUJHVJJESWQOS-UHFFFAOYSA-N
    • SMILES： O(C)C(C1=CC=CC(=C1)CCC=O)=O

Computed Properties

  • Exact Mass: 192.07900
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5

Experimental Properties

  • Density: 1.104
  • Boiling Point: 298 oC
  • Flash Point: 129 oC
  • PSA: 43.37000
  • LogP: 1.60470

Methyl 3-(3-Oxopropyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B496203-10mg
Methyl 3-(3-Oxopropyl)benzoate
 111393-29-4
10mg
 $ 50.00 2022-06-07
TRC
B496203-50mg
Methyl 3-(3-Oxopropyl)benzoate
 111393-29-4
50mg
 $ 135.00 2022-06-07
TRC
B496203-100mg
Methyl 3-(3-Oxopropyl)benzoate
 111393-29-4
100mg
 $ 210.00 2022-06-07
Enamine
EN300-1826273-1g
methyl 3-(3-oxopropyl)benzoate
 111393-29-4
1g
 $986.0 2023-09-19
Enamine
EN300-1826273-5g
methyl 3-(3-oxopropyl)benzoate
 111393-29-4
5g
 $2858.0 2023-09-19
Enamine
EN300-1826273-10g
methyl 3-(3-oxopropyl)benzoate
 111393-29-4
10g
 $4236.0 2023-09-19
eNovation Chemicals LLC
D380073-500mg
3-(3-Oxo-propyl)-benzoic acid methyl ester
 111393-29-4 95%
500mg
 $420 2024-05-24
eNovation Chemicals LLC
D380073-1g
3-(3-Oxo-propyl)-benzoic acid methyl ester
 111393-29-4 95%
1g
 $620 2024-05-24
eNovation Chemicals LLC
D380073-5g
3-(3-Oxo-propyl)-benzoic acid methyl ester
 111393-29-4 95%
5g
 $1820 2024-05-24
eNovation Chemicals LLC
Y0979590-5g
methyl 3-(3-oxopropyl)benzoate
 111393-29-4 95%
5g
 $780 2024-08-02

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