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7403-42-1,MFCD00089461
Catalog No.:AA008P8W

7403-42-1 | 4-Methyl-4-phenylpentan-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$50.00   $35.00
- +
5g
97%
in stock  
$122.00   $85.00
- +
25g
97%
in stock  
$315.00   $220.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008P8W
Chemical Name:
4-Methyl-4-phenylpentan-2-one
CAS Number:
7403-42-1
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00089461
SMILES:
CC(=O)CC(c1ccccc1)(C)C
Properties
Computed Properties
 
Complexity:
176  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Barnes;Beitchman[JournaloftheAmericanChemicalSociety,1954,vol.76,p.5430,5432]

[1]JournalofOrganicChemistry,1941,vol.6,p.516,531

[2]JournaloftheAmericanChemicalSociety,1929,vol.51,p.2545

[3]JournalofOrganicChemistry,1965,vol.30,p.280-284

[4]JournalofOrganicChemistry,1969,vol.34,p.266-270

[5]JournaloftheAmericanChemicalSociety,1975,vol.97,p.769-779

[6]JournaloftheAmericanChemicalSociety,1980,vol.102,p.5618-5626

[7]Patent:US5514690,1996,A

[1]Hoffman[JournaloftheAmericanChemicalSociety,1929,vol.51,p.2545]

[2]Gelin,R.;Chantegrel,B.[BulletindelaSocieteChimiquedeFrance,1971,p.2527-2544]

[1]Hoffman[JournaloftheAmericanChemicalSociety,1929,vol.51,p.2545]

[1]Bott,Garry;Field,LeslieD.;Sternhell,Sever[JournaloftheAmericanChemicalSociety,1980,vol.102,#17,p.5618-5626]

[2]Koelsch;LeClaire[JournalofOrganicChemistry,1941,vol.6,p.516,531]

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5514690,1996,A

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:7403-42-1 Molecular Formula|7403-42-1 MDL|7403-42-1 SMILES|7403-42-1 4-Methyl-4-phenylpentan-2-one
Catalog No.: AA008P8W
7403-42-1,MFCD00089461
7403-42-1 | 4-Methyl-4-phenylpentan-2-one
Pack Size： 1g
Purity： 97%
in stock
$50.00 $35.00
Pack Size： 5g
Purity： 97%
in stock
$122.00 $85.00
Pack Size： 25g
Purity： 97%
in stock
$315.00 $220.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA008P8W
Chemical Name: 4-Methyl-4-phenylpentan-2-one
CAS Number: 7403-42-1
Molecular Formula: C12H16O
Molecular Weight: 176.2548
MDL Number: MFCD00089461
SMILES: CC(=O)CC(c1ccccc1)(C)C
Properties
Complexity: 176  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
7403-42-1    2177-45-9 

[1]Barnes;Beitchman[JournaloftheAmericanChemicalSociety,1954,vol.76,p.5430,5432]

7403-42-1    1010-48-6 

[1]JournalofOrganicChemistry,1941,vol.6,p.516,531

[2]JournaloftheAmericanChemicalSociety,1929,vol.51,p.2545

[3]JournalofOrganicChemistry,1965,vol.30,p.280-284

[4]JournalofOrganicChemistry,1969,vol.34,p.266-270

[5]JournaloftheAmericanChemicalSociety,1975,vol.97,p.769-779

[6]JournaloftheAmericanChemicalSociety,1980,vol.102,p.5618-5626

[7]Patent:US5514690,1996,A

7403-42-1    2035-93-0 

[1]Hoffman[JournaloftheAmericanChemicalSociety,1929,vol.51,p.2545]

[2]Gelin,R.;Chantegrel,B.[BulletindelaSocieteChimiquedeFrance,1971,p.2527-2544]

64-17-5    7403-42-1    2035-93-0 

[1]Hoffman[JournaloftheAmericanChemicalSociety,1929,vol.51,p.2545]

7403-42-1    26465-81-6 

[1]Bott,Garry;Field,LeslieD.;Sternhell,Sever[JournaloftheAmericanChemicalSociety,1980,vol.102,#17,p.5618-5626]

[2]Koelsch;LeClaire[JournalofOrganicChemistry,1941,vol.6,p.516,531]

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5514690,1996,A

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