7780-06-5,MFCD00048292
Catalog No.:AA003R22

7780-06-5 | Isopropyl cinnamate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
98%
in stock  
$21.00   $15.00
- +
100g
98%
in stock  
$61.00   $43.00
- +
500g
98%
in stock  
$200.00   $140.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003R22
Chemical Name:
Isopropyl cinnamate
CAS Number:
7780-06-5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD00048292
SMILES:
CC(OC(=O)/C=C/c1ccccc1)C
FEMA Number:
2939
Properties
Properties
 
BP:
268.999°C at 760 mmHg  
Form:
Liquid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route
16537-09-0    7780-06-5   
2,3-Diphenyl-pentanedioicacid1-tert-butylester5-isopropylester 
 
2,3-Diphenyl-pentanedioicacid1-tert-butylester5-isopropylester 

[1]Dryanska,V.[SyntheticCommunications,1985,vol.15,#10,p.899-906]

[1]Sakakura,Toshiyasu;Yamashita,Hiroshi;Kobayashi,Toshi-aki;Hayashi,Teruyuki;Tanaka,Masato[JournalofOrganicChemistry,1987,vol.52,#26,p.5733-5740]

trimethylsilylcinnamate 
  67-63-0    7780-06-5 

[1]Olah,GeorgeA.;Narang,SubhashC.;Salem,GeorgeF.;Gupta,B.G.Balaram[Synthesis,1981,#2,p.142-143]

[1]Dryanska,V.;Ivanov,C.;Demirov,D.[SyntheticCommunications,1984,vol.14,#9,p.843-852]

[1]Ranu,BrindabanC.;Dutta,Pinak;Sarkar,Arunkanti[JournalofOrganicChemistry,1998,vol.63,#17,p.6027-6028]

Literature

Title: Esters, amides and substituted derivatives of cinnamic acid: synthesis, antimicrobial activity and QSAR investigations.

Journal: European journal of medicinal chemistry 20041001

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SDS
Tags:7780-06-5 Molecular Formula|7780-06-5 MDL|7780-06-5 SMILES|7780-06-5 Isopropyl cinnamate
Catalog No.: AA003R22
7780-06-5,MFCD00048292
7780-06-5 | Isopropyl cinnamate
Pack Size: 25g
Purity: 98%
in stock
$21.00 $15.00
Pack Size: 100g
Purity: 98%
in stock
$61.00 $43.00
Pack Size: 500g
Purity: 98%
in stock
$200.00 $140.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003R22
Chemical Name: Isopropyl cinnamate
CAS Number: 7780-06-5
Molecular Formula: C12H14O2
Molecular Weight: 190.2384
MDL Number: MFCD00048292
SMILES: CC(OC(=O)/C=C/c1ccccc1)C
FEMA Number: 2939
Properties
BP: 268.999°C at 760 mmHg  
Form: Liquid  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 200  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
16537-09-0    7780-06-5   
2,3-Diphenyl-pentanedioicacid1-tert-butylester5-isopropylester 
 
2,3-Diphenyl-pentanedioicacid1-tert-butylester5-isopropylester 

[1]Dryanska,V.[SyntheticCommunications,1985,vol.15,#10,p.899-906]

201230-82-2    101349-79-5    67-63-0    7780-06-5    111160-44-2 

[1]Sakakura,Toshiyasu;Yamashita,Hiroshi;Kobayashi,Toshi-aki;Hayashi,Teruyuki;Tanaka,Masato[JournalofOrganicChemistry,1987,vol.52,#26,p.5733-5740]

trimethylsilylcinnamate 
  67-63-0    7780-06-5 

[1]Olah,GeorgeA.;Narang,SubhashC.;Salem,GeorgeF.;Gupta,B.G.Balaram[Synthesis,1981,#2,p.142-143]

7780-06-5    103-79-7    93129-66-9    93129-64-7 

[1]Dryanska,V.;Ivanov,C.;Demirov,D.[SyntheticCommunications,1984,vol.14,#9,p.843-852]

103-36-6    67-63-0    7780-06-5 

[1]Ranu,BrindabanC.;Dutta,Pinak;Sarkar,Arunkanti[JournalofOrganicChemistry,1998,vol.63,#17,p.6027-6028]

Literature fold

Title: Esters, amides and substituted derivatives of cinnamic acid: synthesis, antimicrobial activity and QSAR investigations.

Journal: European journal of medicinal chemistry20041001

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