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71617-10-2,MFCD00583856
Catalog No.:AA00F9TY

71617-10-2 | Isopentyl 4-methoxycinnamate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$29.00   $20.00
- +
25g
96% (isomers mixture)
in stock  
$47.00   $33.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00F9TY
Chemical Name:
Isopentyl 4-methoxycinnamate
CAS Number:
71617-10-2
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
MDL Number:
MFCD00583856
SMILES:
COc1ccc(cc1)C=CC(=O)OCCC(C)C
NSC Number:
408332
Properties
Properties
 
BP:
362.8 °C at 760 mmHg  
Form:
Solid  
Refractive Index:
1.5560 to 1.5600  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
263  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]McKusick[JournaloftheAmericanChemicalSociety,1948,vol.70,p.1982]

71617-10-2   
(E)-3-(1S,1aR,3aS,6R,6aR,6bR)-6-Hydroxy-6b-methoxy-1-(4-methoxy-phenyl)-2-oxo-1a,2,3a,6,6a,6b-hexahydro-1H-3-oxa-cyclobutacdinden-5-yl-acrylicacid3-methyl-butylester 
 
(1R,6S,7S,8R)-6-Methoxy-8-(4-methoxy-phenyl)-3-(E)-2-(3-methyl-butoxycarbonyl)-vinyl-bicyclo4.2.0octa-2,4-diene-7-carboxylicacid3-methyl-butylester 
 
(1R,7R,8R,9S)-7-Methoxy-9-(4-methoxy-phenyl)-4-(E)-2-(3-methyl-butoxycarbonyl)-vinyl-3-oxa-tricyclo5.2.0.02,4non-5-ene-8-carboxylicacid3-methyl-butylester 
 
C60H80O12 
 
cis4-methoxycinnamicacid-3'-methylbutylester 

[1]Schrader,A.;Jakupovic,J.;Baltes,W.[TetrahedronLetters,1994,vol.35,#8,p.1169-1172]

71617-10-2   
(1R,6S,7S,8R)-6-Methoxy-8-(4-methoxy-phenyl)-3-(E)-2-(3-methyl-butoxycarbonyl)-vinyl-bicyclo4.2.0octa-2,4-diene-7-carboxylicacid3-methyl-butylester 
 
C60H80O12 
 
cis4-methoxycinnamicacid-3'-methylbutylester 

[1]Schrader,A.;Jakupovic,J.;Baltes,W.[TetrahedronLetters,1994,vol.35,#8,p.1169-1172]

[1]List,Benjamin;Doehring,Arno;HechavarriaFonseca,MariaT.;Job,Andreas;RiosTorres,Ramon[Tetrahedron,2006,vol.62,#2-3,p.476-482]

[1]List,Benjamin;Doehring,Arno;HechavarriaFonseca,MariaT.;Job,Andreas;RiosTorres,Ramon[Tetrahedron,2006,vol.62,#2-3,p.476-482]

[2]List,Benjamin;Doehring,Arno;HechavarriaFonseca,MariaT.;Job,Andreas;RiosTorres,Ramon[Tetrahedron,2006,vol.62,#2-3,p.476-482]

Literature

Title: Photo-allergic contact dermatitis caused by isoamyl p-methoxycinnamate in an 'organic' sunscreen.

Journal: Contact dermatitis 20110201

Title: [Analysis of the volatile oils chemical constituents of roots of Actinidia deliciosa].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20080501

Title: Céline Couteau, et al. UV Filters, Ingredients with a Recognized Anti-Inflammatory Effect. PLoS One. 2012; 7(12): e46187.

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SDS
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Tags:71617-10-2 Molecular Formula|71617-10-2 MDL|71617-10-2 SMILES|71617-10-2 Isopentyl 4-methoxycinnamate
Catalog No.: AA00F9TY
71617-10-2,MFCD00583856
71617-10-2 | Isopentyl 4-methoxycinnamate
Pack Size： 1g
Purity： 95%
in stock
$24.00 $17.00
Pack Size： 5g
Purity： 95%
in stock
$29.00 $20.00
Pack Size： 25g
Purity： 96% (isomers mixture)
in stock
$47.00 $33.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00F9TY
Chemical Name: Isopentyl 4-methoxycinnamate
CAS Number: 71617-10-2
Molecular Formula: C15H20O3
Molecular Weight: 248.3175
MDL Number: MFCD00583856
SMILES: COc1ccc(cc1)C=CC(=O)OCCC(C)C
NSC Number: 408332
Properties
BP: 362.8 °C at 760 mmHg  
Form: Solid  
Refractive Index: 1.5560 to 1.5600  
Storage: Inert atmosphere;2-8℃;  
Complexity: 263  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
24393-56-4    19533-24-5    71617-10-2 

[1]McKusick[JournaloftheAmericanChemicalSociety,1948,vol.70,p.1982]

71617-10-2   
(E)-3-(1S,1aR,3aS,6R,6aR,6bR)-6-Hydroxy-6b-methoxy-1-(4-methoxy-phenyl)-2-oxo-1a,2,3a,6,6a,6b-hexahydro-1H-3-oxa-cyclobutacdinden-5-yl-acrylicacid3-methyl-butylester 
 
(1R,6S,7S,8R)-6-Methoxy-8-(4-methoxy-phenyl)-3-(E)-2-(3-methyl-butoxycarbonyl)-vinyl-bicyclo4.2.0octa-2,4-diene-7-carboxylicacid3-methyl-butylester 
 
(1R,7R,8R,9S)-7-Methoxy-9-(4-methoxy-phenyl)-4-(E)-2-(3-methyl-butoxycarbonyl)-vinyl-3-oxa-tricyclo5.2.0.02,4non-5-ene-8-carboxylicacid3-methyl-butylester 
 
C60H80O12 
 
cis4-methoxycinnamicacid-3'-methylbutylester 

[1]Schrader,A.;Jakupovic,J.;Baltes,W.[TetrahedronLetters,1994,vol.35,#8,p.1169-1172]

71617-10-2   
(1R,6S,7S,8R)-6-Methoxy-8-(4-methoxy-phenyl)-3-(E)-2-(3-methyl-butoxycarbonyl)-vinyl-bicyclo4.2.0octa-2,4-diene-7-carboxylicacid3-methyl-butylester 
 
C60H80O12 
 
cis4-methoxycinnamicacid-3'-methylbutylester 

[1]Schrader,A.;Jakupovic,J.;Baltes,W.[TetrahedronLetters,1994,vol.35,#8,p.1169-1172]

123-51-3    24393-56-4    71617-10-2 

[1]List,Benjamin;Doehring,Arno;HechavarriaFonseca,MariaT.;Job,Andreas;RiosTorres,Ramon[Tetrahedron,2006,vol.62,#2-3,p.476-482]

123-11-5    71617-10-2 

[1]List,Benjamin;Doehring,Arno;HechavarriaFonseca,MariaT.;Job,Andreas;RiosTorres,Ramon[Tetrahedron,2006,vol.62,#2-3,p.476-482]

[2]List,Benjamin;Doehring,Arno;HechavarriaFonseca,MariaT.;Job,Andreas;RiosTorres,Ramon[Tetrahedron,2006,vol.62,#2-3,p.476-482]

Literature fold

Title: Photo-allergic contact dermatitis caused by isoamyl p-methoxycinnamate in an 'organic' sunscreen.

Journal: Contact dermatitis20110201

Title: [Analysis of the volatile oils chemical constituents of roots of Actinidia deliciosa].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials20080501

Title: Céline Couteau, et al. UV Filters, Ingredients with a Recognized Anti-Inflammatory Effect. PLoS One. 2012; 7(12): e46187.

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