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81036-81-9,MFCD24674074
Catalog No.:AA01BAXK

81036-81-9 | 4-(2-Hydroxypropan-2-yl)benzaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$169.00   $118.00
- +
250mg
95%
in stock  
$287.00   $201.00
- +
1g
95%
in stock  
$722.00   $505.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01BAXK
Chemical Name:
4-(2-Hydroxypropan-2-yl)benzaldehyde
CAS Number:
81036-81-9
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD24674074
SMILES:
O=Cc1ccc(cc1)C(O)(C)C
Properties
Computed Properties
 
Complexity:
155  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route
57497-39-9    81036-81-9   
C14H21NO2 

[1]JournalofPhysicalOrganicChemistry,2001,vol.14,p.97-102

[1]Childers,KaleenK.;Haidle,AndrewM.;Machacek,MichelleR.;Rogers,J.Patrick;Romeo,Eric[TetrahedronLetters,2013,vol.54,#20,p.2506-2510]

[2]CurrentPatentAssignee:MERCK&COINC-WO2010/11375,2010,A2Locationinpatent:Page/Pagecolumn43

[1]OrganicLetters,2013,vol.15,p.3082-3085

[2]Synthesis,2015,vol.47,p.175-180

[3]OrganicLetters,2010,vol.12,p.5588-5591

Literature

Title: Formation mechanism of p-methylacetophenone from citral via a tert-alkoxy radical intermediate.

Journal: Journal of agricultural and food chemistry 20040908

Quotation Request
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SDS
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Tags:81036-81-9 Molecular Formula|81036-81-9 MDL|81036-81-9 SMILES|81036-81-9 4-(2-Hydroxypropan-2-yl)benzaldehyde
Catalog No.: AA01BAXK
81036-81-9,MFCD24674074
81036-81-9 | 4-(2-Hydroxypropan-2-yl)benzaldehyde
Pack Size： 100mg
Purity： 95%
in stock
$169.00 $118.00
Pack Size： 250mg
Purity： 95%
in stock
$287.00 $201.00
Pack Size： 1g
Purity： 95%
in stock
$722.00 $505.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01BAXK
Chemical Name: 4-(2-Hydroxypropan-2-yl)benzaldehyde
CAS Number: 81036-81-9
Molecular Formula: C10H12O2
Molecular Weight: 164.2011
MDL Number: MFCD24674074
SMILES: O=Cc1ccc(cc1)C(O)(C)C
Properties
Complexity: 155  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
57497-39-9    81036-81-9   
C14H21NO2 

[1]JournalofPhysicalOrganicChemistry,2001,vol.14,p.97-102

81036-81-9    6719-21-7    1206630-13-8 

[1]Childers,KaleenK.;Haidle,AndrewM.;Machacek,MichelleR.;Rogers,J.Patrick;Romeo,Eric[TetrahedronLetters,2013,vol.54,#20,p.2506-2510]

[2]CurrentPatentAssignee:MERCK&COINC-WO2010/11375,2010,A2Locationinpatent:Page/Pagecolumn43

3457-45-2    917-54-4    81036-81-9 

[1]OrganicLetters,2013,vol.15,p.3082-3085

[2]Synthesis,2015,vol.47,p.175-180

[3]OrganicLetters,2010,vol.12,p.5588-5591

Literature fold

Title: Formation mechanism of p-methylacetophenone from citral via a tert-alkoxy radical intermediate.

Journal: Journal of agricultural and food chemistry20040908

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