Benzyl 3,3-dimethylbutyrate

Base Information

Chemical Name:Benzyl 3,3-dimethylbutyrate
CAS No.:61066-88-4
Molecular Formula:C13H18O2
Molecular Weight:206.285
Hs Code.:2915900090
DSSTox Substance ID:DTXSID1069453
Nikkaji Number:J429.419J
Wikidata:Q81996341
Mol file:61066-88-4.mol

Synonyms:Benzyl 3,3-dimethylbutyrate;Benzyl neocaproate;61066-88-4;3,3-Dimethylbutyric acid benzyl ester;Butanoic acid, 3,3-dimethyl-, phenylmethyl ester;benzyl 3,3-dimethylbutanoate;DTXSID1069453;SCHEMBL10243854;AKOS017002380

Suppliers and Price of Benzyl 3,3-dimethylbutyrate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Benzyl 3,3-dimethylbutyrate

Chemical Property:

Vapor Pressure:0.00843mmHg at 25°C
Boiling Point:266.9°Cat760mmHg
Flash Point:97.8°C
PSA：26.30000
Density:0.99g/cm³
LogP:3.16600
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:206.130679813
Heavy Atom Count:15
Complexity:197

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)CC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl 3,3-dimethylbutyrate

There total 12 articles about Benzyl 3,3-dimethylbutyrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

: 37526-89-9
benzyl 3-methylbut-2-enoate

: 61066-88-4
benzyl 3,3-dimethylbutanoate

Guidance literature:: With chloro-trimethyl-silane; In diethyl ether; dichloromethane; at -78 - 0 ℃;
DOI:10.1016/S0040-4039(03)00891-8

Reference yield: 95.0%

: 2987-16-8
3,3-dimethylbutyrylaldehyde

: 100-51-6,185532-71-2
benzyl alcohol

: 61066-88-4
benzyl 3,3-dimethylbutanoate

Guidance literature:: With dmap; 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone; C₂₃H₁₉Cl₃N₃⁽¹⁺⁾*Cl^(1-); benzoic acid; In tetrahydrofuran; at 20 ℃; for 6h;
DOI:10.1002/anie.202104712