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1085-12-7,MFCD00016481
Catalog No.:AA003QSF

1085-12-7 | N-Heptyl 4-hydroxybenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>98%(HPLC)
in stock  
$24.00   $17.00
- +
5g
>98%(HPLC)
in stock  
$43.00   $30.00
- +
25g
>98.0%(T)(HPLC)
in stock  
$62.00   $44.00
- +
100g
>98.0%(T)(HPLC)
in stock  
$135.00   $95.00
- +
500g
>98.0%(T)(HPLC)
in stock  
$402.00   $281.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QSF
Chemical Name:
N-Heptyl 4-hydroxybenzoate
CAS Number:
1085-12-7
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
MDL Number:
MFCD00016481
SMILES:
CCCCCCCOC(=O)c1ccc(cc1)O
NSC Number:
309818
Properties
Properties
 
BP:
353.6°C at 760 mmHg  
Form:
Solid  
MP:
46-51 °C  
Refractive Index:
1.5800 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
208  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.8  

Downstream Synthesis Route
1085-12-7    100-35-6   
4-(2-diethylamino-ethoxy)-benzoicacidheptylester 

[1]Najeretal.[BulletindelaSocieteChimiquedeFrance,1956,p.613,620]

[1]Owen,Caroline;James,Karen;Sampson,Luther;Ahmed,Sabbir[JournalofPharmacyandPharmacology,2003,vol.55,#1,p.85-93]

[2]Olivier[RecueildesTravauxChimiquesdesPays-Bas,1937,vol.56,p.256]

[3]Cavill;Vincent[JournaloftheSocietyofChemicalIndustry,1947,vol.66,p.175]

[4]Ahmed,Sabbir;James,Karen;Owen,CarolineP[BioorganicandMedicinalChemistryLetters,2002,vol.12,#17,p.2391-2394]

[5]Patel,ChiragK.;Owen,CarolineP.;Ahmed,Sabbir[BioorganicandMedicinalChemistryLetters,2004,vol.14,#3,p.605-609]

[6]Locationinpatent:experimentalpartZuev[RussianJournalofGeneralChemistry,2008,vol.78,#8,p.1559-1564]

619-58-9    1085-12-7   
4-(n-Heptyloxycarbonyl)phenyl4'-iodobenzoate 

[1]Xu,Yuelian;Chen,Qi;Wen,Jianxun[MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1994,vol.241,p.243-248]

[1]Neubert,M.E.;Leung,K.;Jirousek,M.R.;Ezenylimba,M.C.;Sabol-Keast,S.;etal.[MolecularCrystalsandLiquidCrystals(1969-1991),1991,vol.197,p.21-41]

4-Benzyloxy-benzoicacidheptylester 
  1085-12-7 

[1]Neubert,M.E.;Leung,K.;Jirousek,M.R.;Ezenylimba,M.C.;Sabol-Keast,S.;etal.[MolecularCrystalsandLiquidCrystals(1969-1991),1991,vol.197,p.21-41]

Literature

Title: Parabens inhibit fatty acid amide hydrolase: A potential role in paraben-enhanced 3T3-L1 adipocyte differentiation.

Journal: Toxicology letters 20161116

Title: Cytochrome P450-inhibitory activity of parabens and phthalates used in consumer products.

Journal: The Journal of toxicological sciences 20160101

Title: Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20130701

Title: Mechanisms of membrane transport of poorly soluble drugs: role of micelles in oral absorption processes.

Journal: Journal of pharmaceutical sciences 20100301

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: The physical stability of thermally-stressed phospholipid-based emulsions containing methyl, propyl and heptyl parabens as model drugs.

Journal: International journal of pharmaceutics 20031020

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SDS
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Tags:1085-12-7 Molecular Formula|1085-12-7 MDL|1085-12-7 SMILES|1085-12-7 N-Heptyl 4-hydroxybenzoate
Catalog No.: AA003QSF
1085-12-7,MFCD00016481
1085-12-7 | N-Heptyl 4-hydroxybenzoate
Pack Size： 1g
Purity： >98%(HPLC)
in stock
$24.00 $17.00
Pack Size： 5g
Purity： >98%(HPLC)
in stock
$43.00 $30.00
Pack Size： 25g
Purity： >98.0%(T)(HPLC)
in stock
$62.00 $44.00
Pack Size： 100g
Purity： >98.0%(T)(HPLC)
in stock
$135.00 $95.00
Pack Size： 500g
Purity： >98.0%(T)(HPLC)
in stock
$402.00 $281.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003QSF
Chemical Name: N-Heptyl 4-hydroxybenzoate
CAS Number: 1085-12-7
Molecular Formula: C14H20O3
Molecular Weight: 236.3068
MDL Number: MFCD00016481
SMILES: CCCCCCCOC(=O)c1ccc(cc1)O
NSC Number: 309818
Properties
BP: 353.6°C at 760 mmHg  
Form: Solid  
MP: 46-51 °C  
Refractive Index: 1.5800 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 208  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.8  
Downstream Synthesis Route
1085-12-7    100-35-6   
4-(2-diethylamino-ethoxy)-benzoicacidheptylester 

[1]Najeretal.[BulletindelaSocieteChimiquedeFrance,1956,p.613,620]

111-70-6    99-96-7    1085-12-7 

[1]Owen,Caroline;James,Karen;Sampson,Luther;Ahmed,Sabbir[JournalofPharmacyandPharmacology,2003,vol.55,#1,p.85-93]

[2]Olivier[RecueildesTravauxChimiquesdesPays-Bas,1937,vol.56,p.256]

[3]Cavill;Vincent[JournaloftheSocietyofChemicalIndustry,1947,vol.66,p.175]

[4]Ahmed,Sabbir;James,Karen;Owen,CarolineP[BioorganicandMedicinalChemistryLetters,2002,vol.12,#17,p.2391-2394]

[5]Patel,ChiragK.;Owen,CarolineP.;Ahmed,Sabbir[BioorganicandMedicinalChemistryLetters,2004,vol.14,#3,p.605-609]

[6]Locationinpatent:experimentalpartZuev[RussianJournalofGeneralChemistry,2008,vol.78,#8,p.1559-1564]

619-58-9    1085-12-7   
4-(n-Heptyloxycarbonyl)phenyl4'-iodobenzoate 

[1]Xu,Yuelian;Chen,Qi;Wen,Jianxun[MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1994,vol.241,p.243-248]

134447-11-3    1085-12-7 

[1]Neubert,M.E.;Leung,K.;Jirousek,M.R.;Ezenylimba,M.C.;Sabol-Keast,S.;etal.[MolecularCrystalsandLiquidCrystals(1969-1991),1991,vol.197,p.21-41]

4-Benzyloxy-benzoicacidheptylester 
  1085-12-7 

[1]Neubert,M.E.;Leung,K.;Jirousek,M.R.;Ezenylimba,M.C.;Sabol-Keast,S.;etal.[MolecularCrystalsandLiquidCrystals(1969-1991),1991,vol.197,p.21-41]

Literature fold

Title: Parabens inhibit fatty acid amide hydrolase: A potential role in paraben-enhanced 3T3-L1 adipocyte differentiation.

Journal: Toxicology letters20161116

Title: Cytochrome P450-inhibitory activity of parabens and phthalates used in consumer products.

Journal: The Journal of toxicological sciences20160101

Title: Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20130701

Title: Mechanisms of membrane transport of poorly soluble drugs: role of micelles in oral absorption processes.

Journal: Journal of pharmaceutical sciences20100301

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling20061101

Title: The physical stability of thermally-stressed phospholipid-based emulsions containing methyl, propyl and heptyl parabens as model drugs.

Journal: International journal of pharmaceutics20031020

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