Benzalpinacolone

Base Information

Chemical Name:Benzalpinacolone
CAS No.:29569-91-3
Molecular Formula:C₁₃H₁₆O
Molecular Weight:188.269
Hs Code.:
European Community (EC) Number:208-693-3
NSC Number:311448,15299
Nikkaji Number:J6.373H,J274.106G
Mol file:29569-91-3.mol

Synonyms:Benzalpinacolone;538-44-3;tert-Butyl styryl ketone;Ketone, tert-butyl styryl;(E)-4,4-dimethyl-1-phenylpent-1-en-3-one;Benzylidenepinacolone;1-Penten-3-one,4,4-diMethyl-1-phenyl;4,4-Dimethyl-1-phenylpent-1-en-3-one;(1E)-4,4-Dimethyl-1-phenyl-1-penten-3-one;29569-91-3;1-Penten-3-one, 4,4-dimethyl-1-phenyl-;SCHEMBL6047363;SCHEMBL6047364;[(E)-Styryl]tert-butyl ketone;NSC15299;NSC-15299;NSC311448;AKOS000583910;NSC-311448;1-Penten-3-one,4-dimethyl-1-phenyl-;4,4-dimethyl-1-phenyl-1-penten-3-one;(1E)-4,4-Dimethyl-1-phenyl-1-penten-3-one #;A829797;AG-690/09410012;(1E)-4,4-DIMETHYL-1-PHENYLPENT-1-EN-3-ONE

Suppliers and Price of Benzalpinacolone

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 7 raw suppliers

Chemical Property of Benzalpinacolone

Chemical Property:

Boiling Point:296°Cat760mmHg
Flash Point:108.4°C
PSA：17.07000
Density:0.972g/cm³
LogP:3.31500
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:188.120115130
Heavy Atom Count:14
Complexity:214

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C(=O)C=CC1=CC=CC=C1
Isomeric SMILES:CC(C)(C)C(=O)/C=C/C1=CC=CC=C1

Technology Process of Benzalpinacolone

There total 42 articles about Benzalpinacolone 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: 99.0%

: 75-97-8
3,3-dimethyl-butan-2-one

: 100-52-7
benzaldehyde

: 538-44-3,28435-47-4,29569-91-3
(E)-benzylidenepinacolone

Guidance literature:: With sodium hydroxide; dodecyl-α,ω-bis(dodecyldimethylammonium bromide); In water; at 25 ℃; for 1.16667h; Sonication;
DOI:10.5012/bkcs.2010.31.8.2289