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CS-W001157 4
Total: USD 88.00

3-Isopropylbenzaldehyde

  • CAS No. 34246-57-6

  • Cat. No. CS-0129252
  • Molecule weight148.20
  • Purity≥96%
  • MDL No.MFCD08062435

*For research and further manufacturing use only, not for direct human use.

3-Isopropylbenzaldehyde|CS-0129252

Structure of 34246-57-6

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General Information

  • CAS No. 34246-57-6
  • Cat. No. CS-0129252
  • Purity ≥96%
  • MDL No. MFCD08062435
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O
  • Molecular Weight 148.20
  • Synonym(s) Benzaldehyde, 3-(1-methylethyl)- (9CI)
  • SMILES O=CC1=CC=CC(C(C)C)=C1

Description

3-Isopropylbenzaldehyde features a para-isopropyl substituent that imparts enhanced steric bulk and electron-donating character, facilitating selective functionalization in aromatic aldehyde transformations. This bench-stable, moisture-tolerant reagent integrates efficiently into synthesis workflows requiring controlled electrophilicity and improved solubility in organic media.

Application

3-Isopropylbenzaldehyde serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to substituted aromatic scaffolds. Its aldehyde functionality facilitates standard transformations including reductive amination, Grignard additions, and Wittig reactions. The isopropyl group imparts moderate steric bulk and enhanced lipophilicity, beneficial for tuning pharmacokinetic properties in drug discovery campaigns. Bench-stable and readily purified by distillation, it functions reliably in multi-step syntheses.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.6225
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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