1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one

Name: 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one
Brand: ChemScene
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CAS No. 54549-72-3
Cat. No. CS-0503789
Purity≥97%
MDL No.MFCD18971205

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one|CS-0503789

Structure of 54549-72-3

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Description

This acetophenone derivative features a tert-butyl-substituted phenyl ring paired with a benzoyl group, delivering enhanced steric bulk and thermal stability. The hydroxylated isopropyl side chain imparts solubility in polar solvents and facilitates downstream functionalization. Ideal for synthetic intermediates requiring robustness under standard reaction conditions.

Application

1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one serves as a stable, bench-ready aryl ketone building block for medicinal chemistry and materials synthesis. Its tertiary alcohol functionality enhances solubility and metabolic stability, while the para-substituted phenyl ring enables straightforward functionalization via standard coupling reactions. The ketone group facilitates nucleophilic additions and acts as a key handle in heterocycle construction.

General Information

CAS No. 54549-72-3
Cat. No. CS-0503789
Purity ≥97%
MDL No. MFCD18971205
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₄O₂
Molecular Weight None
Synonym(s) Ethanone, 1-[4-(1-hydroxy-1-methylethyl)phenyl]-
SMILES CC(C1=CC=C(C(C)(O)C)C=C1)=O

Computational Chemistry Data

TPSA 37.3
LogP 2.1166
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 2

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-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one

CAS No. 54549-72-3

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