Lot numbers can be found on the outside label of a product:
4-Isobutoxybenzaldehyde
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CAS No. 18962-07-7
- Cat. No. CS-0028738
- Purity≥97%
- MDL No.MFCD01922006
*For research and further manufacturing use only, not for direct human use.
Structure of 18962-07-7
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General Information
- CAS No. 18962-07-7
- Cat. No. CS-0028738
- Purity ≥97%
- MDL No. MFCD01922006
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₄O₂
- Molecular Weight 178.23
- Synonym(s) NSC 68517; p-Isobutoxybenzaldehyde; 4-(2-methylpropoxy)benzaldehyde
- SMILES O=CC1=CC=C(OCC(C)C)C=C1
Description
4-Isobutoxybenzaldehyde features a para-isobutoxy substituent that enhances solubility in organic media while maintaining reactivity at the aldehyde functional group. This bench-stable compound integrates readily into synthetic sequences requiring electron-donating aryl linkages, particularly in the construction of fluorescent probes and bioconjugation scaffolds.
Application
4-Isobutoxybenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized aromatic scaffolds. Its aldehyde group facilitates nucleophilic additions and condensation reactions, while the isobutoxy substituent provides steric bulk and moderate electron-donating character. The compound exhibits good bench stability and is readily purified by distillation or recrystallization, making it suitable for use in multistep syntheses, including the preparation of pharmaceutical intermediates and specialty ligands.
Synthesis
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Route1
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78-77-3 -
123-08-0 - ~%
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In-stock
18962-07-7
References
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Russian Journal of General Chemistry, , vol. 75, # 7 p. 1113 - 1124
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Route2
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513-38-2
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123-08-0
- ~%
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In-stock
18962-07-7
References
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US2699448 , ;
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Route3
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513-38-2
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In-stock
497-19-8 -
123-08-0
- ~45%
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In-stock
18962-07-7
References
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The Procter and Gamble Company Patent: US4999186 A1, 1991 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.5339
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 4
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