20665-85-4 Usage
Description
Vanillin isobutyrate, also known as isobutyl vanillinate, is a chemical compound that belongs to the phenols and benzoate esters. It is a colorless to slightly yellow liquid or solid with a heavy, sweet, vanillin, and nutmeg odor. It has a sweet, creamy vanillic character reminiscent of white chocolate, cream soda, and a soft apricot feeling. It is much less discolorizing than vanillin or ethyl vanillin and is less powdery, with a more creamy "thickening" effect.
Uses
Used in Flavor Industry:
Vanillin isobutyrate is used as a flavoring agent for creating floral, caramel, and vanilla flavors. Its unique creamy and sweet characteristics make it a valuable ingredient in the formulation of various food and beverage products.
Used in Fragrance Industry:
Vanillin isobutyrate is used as a fragrance ingredient in the creation of white soap fragrances. Its less discolorizing property allows it to be used at higher levels, up to 2%, without causing significant color changes. This makes it a preferred choice for formulations that require a creamy and sweet scent.
Used in Pharmaceutical Industry:
Vanillin isobutyrate can be used as a pharmaceutical excipient, particularly in the formulation of oral and topical medications. Its creamy and sweet characteristics can enhance the sensory experience of the medication, making it more palatable for patients.
Used in Cosmetic Industry:
Vanillin isobutyrate can be used as a cosmetic ingredient, particularly in the formulation of creams, lotions, and other skincare products. Its creamy and sweet scent can provide a pleasant sensory experience for users, while its less discolorizing property ensures that it does not affect the product's appearance.
Flammability and Explosibility
Notclassified
Biochem/physiol Actions
Odor at 1.0%
Check Digit Verification of cas no
The CAS Registry Mumber 20665-85-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,6,6 and 5 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 20665-85:
(7*2)+(6*0)+(5*6)+(4*6)+(3*5)+(2*8)+(1*5)=104
104 % 10 = 4
So 20665-85-4 is a valid CAS Registry Number.
InChI:InChI=1/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
20665-85-4Relevant articles and documents
Molecular dynamics simulation, synthesis and topoisomerase inhibitory actions of vanillin derivatives: a systematic computational structural integument
Dehury, Budheswar,Padhy, Rabindra Nath,Paidesetty, Sudhir Kumar,Sahoo, Chita Ranjan,Sarathbabu, Subbarayan,Senthil Kumar, Nachimuthu
, (2021)
A series of 4-hydroxy-3-methoxy benzaldehyde (vanillin) derivatives (3a–3r) was designed for the principle of Schiff base condensation with several individual sulfanilamide analogues. The inhibitory potencies of the designed compounds were evaluated through molecular docking simulation studies against the targets, breast cancer-topo isomerase-IIα and estrogen receptor-α; and the top scoring poses with higher binding energy were selected to assess the mode of binding and stability of each complex through molecular dynamics simulations. Compounds that remained stable in the active sites of the both target receptors through a number of strong H-bonds and hydrophobic contacts were selected. Based on the computational results, these selected compounds, 3b, 3e and 3f were synthesized and were followed up for structural elucidation attempts, by FT/ATR, 1H NMR and 13C NMR. From the experimental in vitro studies on 3b, 3e and 3f, the following remarkable activities against breast cancer cell line were done; IC50 values of 3b, 3e and 3f were noted, 6.7, 4.3 and 11 ng/mL, respectively. These newly synthesized compounds may be used as novel inhibitors of nuclear receptors with potential therapeutic applications in control of cancer. Communicated by Ramaswamy H. Sarma.
Preparative synthesis of vanillin and vanillal alkanoates
Dikusar,Vyglazov,Moiseichuk,Zhukovskaya,Kozlov
, p. 120 - 124 (2007/10/03)
Procedures for preparing vanillin and vanillal alkanoates were developed.
Vanillin esters of aliphatic acids in the synthesis of 4,7-phenanthroline derivatives
Kozlov,Gusak,Tereshko,Dikusar
, p. 705 - 710 (2007/10/03)
Condensation of vanillin esters of aliphatic acids with 6-aminoquinoline and cyclic c-diketones (1,3-cyclohexanedione and dimedone) afforded new 2-methoxy-4-(11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthrolin-12-yl) phenyl esters of carboxylic acids.
