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617-05-0,MFCD00017269
Catalog No.:AA003Q83

617-05-0 | Ethyl vanillate

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100mg
98%
in stock  
$6.00   $4.00
- +
5g
98%
in stock  
$7.00   $5.00
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10g
98%
in stock  
$9.00   $7.00
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100g
95%
in stock  
$77.00   $54.00
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500g
97%
in stock  
$378.00   $264.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003Q83
Chemical Name:
Ethyl vanillate
CAS Number:
617-05-0
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00017269
SMILES:
CCOC(=O)c1ccc(c(c1)OC)O
NSC Number:
8513
Properties
Properties
 
BP:
292°C at 760 mmHg  
Form:
Solid  
MP:
43-45 °C  
Refractive Index:
1.5430 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.1  

Upstream Synthesis Route

[1]TetrahedronLetters,2017,vol.58,#36,p.3522-3524

[1]Patent:WO2017/62804,2017,A1,.Locationinpatent:Paragraph0070

[2]Patent:WO2018/144900,2018,A1,.Locationinpatent:Page/Pagecolumn47-48

[3]BioorganicandMedicinalChemistry,2005,vol.13,#13,p.4279-4290

[4]ChemischeBerichte,1877,vol.10,p.60Anm.

[5]Molecularcrystalsandliquidcrystals,1982,vol.99,#1-4,p.279-284

[6]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2010,vol.49,#4,p.526-531

[7]JournalofHeterocyclicChemistry,2010,vol.47,#4,p.838-845

[8]BioorganicandMedicinalChemistry,2012,vol.20,#14,p.4226-4236

[9]MedChemComm,2013,vol.4,#5,p.827-832

[10]Patent:WO2014/31784,2014,A1,.Locationinpatent:Paragraph0573

[11]BioorganicandMedicinalChemistry,2015,vol.23,#17,p.6014-6024

[12]NewJournalofChemistry,2016,vol.40,#8,p.6977-6985

[1]Patent:US5686406,1997,A,

[1]Patent:US2004/106601,2004,A1,

[2]Patent:US2004/224943,2004,A1,

[3]Patent:US2004/229866,2004,A1,

[4]Patent:US2004/254173,2004,A1,

[5]Patent:US2004/138210,2004,A1,

[6]Patent:US2004/138209,2004,A1,

[7]Patent:US2004/106602,2004,A1,

[8]Patent:US6638928,2003,B1,

[1]Patent:US2010/121110,2010,A1,.Locationinpatent:Page/Pagecolumn5-8

Downstream Synthesis Route

[1]Patent:WO2017/62804,2017,A1.Locationinpatent:Paragraph0070

[2]Patent:WO2018/144900,2018,A1.Locationinpatent:Page/Pagecolumn47-48

[3]InternationalJournalofPharmacyandPharmaceuticalSciences,2019,vol.11,p.85-91

[4]BioorganicandMedicinalChemistry,2005,vol.13,p.4279-4290

[5]ChemischeBerichte,1877,vol.10,p.60Anm.

[6]MolecularCrystalsandLiquidCrystals(1969-1991),1982,vol.99,p.279-284

[7]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2010,vol.49,p.526-531

[8]BioorganicandMedicinalChemistry,2012,vol.20,p.4226-4236

[9]MedChemComm,2013,vol.4,p.827-832

[10]Patent:WO2014/31784,2014,A1.Locationinpatent:Paragraph0573

[11]BioorganicandMedicinalChemistry,2015,vol.23,p.6014-6024

[12]NewJournalofChemistry,2016,vol.40,p.6977-6985

[13]GreenChemistry,2018,vol.20,p.3214-3221

[1]MonatsheftefurChemie,1957,vol.88,p.1064,1066,1067

617-05-0    119682-53-0   
phosphoricacidbis-(4-ethoxycarbonyl-2-methoxy-phenylester) 

[1]GazzettaChimicaItaliana,1957,vol.87,p.519,524

[1]InternationalJournalofPharmacyandPharmaceuticalSciences,2019,vol.11,p.85-91

[2]BioorganicandMedicinalChemistry,2015,vol.23,p.6014-6024

[3]ChemischeBerichte,1926,vol.59,p.733

[4]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2010,vol.49,p.526-531

[5]JournalofHeterocyclicChemistry,2010,vol.47,p.838-845

[6]BioorganicandMedicinalChemistry,2012,vol.20,p.4226-4236

[7]Polymer,2016,vol.99,p.83-89

[1]Patent:GB919126,1959,    Chem.Abstr.,1963,vol.59

Literature

Title: Antioxidative properties of vanillic acid esters in multiple antioxidant assays.

Journal: Bioscience, biotechnology, and biochemistry 20120101

Title: Hedge mustard (Sisymbrium officinale): chemical diversity of volatiles and their antimicrobial activity.

Journal: Chemistry & biodiversity 20100801

Title: Fate of grape flavor precursors during storage on yeast lees.

Journal: Journal of agricultural and food chemistry 20090624

Title: Quantification of selected aroma-active compounds in Pinot noir wines from different grape maturities.

Journal: Journal of agricultural and food chemistry 20061101

Title: Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Key differences in the odor profiles of four high-quality Spanish aged red wines.

Journal: Journal of agricultural and food chemistry 20011001

Title: Engeli RT, et al. Interference of Paraben Compounds with Estrogen Metabolism by Inhibition of 17β-Hydroxysteroid Dehydrogenases. Int J Mol Sci. 2017 Sep 19;18(9). pii: E2007.

Title: COHEN R, et al. Four new fungicides for Coccidioides immitis: 1. Sodium caprylate. 2. Ethyl vanillate 3. Fradicin. 4. Thiolutin. Arch Pediatr. 1951 Jun;68(6):259-64.

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