1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-oxobutyl)-

Base Information

Chemical Name:1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-oxobutyl)-
CAS No.:17450-95-2
Molecular Formula:C12H18O3
Molecular Weight:210.273
Hs Code.:
DSSTox Substance ID:DTXSID50391031
Nikkaji Number:J3.590.111F
Wikidata:Q82188222
Mol file:17450-95-2.mol

Synonyms:2-Butyryldimedone;17450-95-2;2-butanoyl-5,5-dimethylcyclohexane-1,3-dione;1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-oxobutyl)-;SCHEMBL9396153;DTXSID50391031;AKOS030254764;FT-0664164;J3.590.111F;AB00075714-01;EN300-1126032

Suppliers and Price of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-oxobutyl)-

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

TRC
2-Butyryldimedone
500 mg
$ 250.00

Biosynth Carbosynth
2-Butyryldimedone
1 g
$ 576.60

Biosynth Carbosynth
2-Butyryldimedone
500 mg
$ 315.00

Biosynth Carbosynth
2-Butyryldimedone
250 mg
$ 175.00

Biosynth Carbosynth
2-Butyryldimedone
100 mg
$ 96.00

Biosynth Carbosynth
2-Butyryldimedone
2 g
$ 1048.40

AK Scientific
1,3-Cyclohexanedione,5,5-dimethyl-2-(1-oxobutyl)-
2g
$ 1465.00

AK Scientific
1,3-Cyclohexanedione,5,5-dimethyl-2-(1-oxobutyl)-
1g
$ 828.00

Total 6 raw suppliers

Chemical Property of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-oxobutyl)-

Chemical Property:

Boiling Point:123-124 °C(Press: 5 Torr)
PKA:3.73±0.42(Predicted)
PSA：51.21000
Density:1.040±0.06 g/cm3(Predicted)
LogP:1.93000
Solubility.:Dichloromethane, Ethyl Acetate, Methanol
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:210.125594432
Heavy Atom Count:15
Complexity:282

Purity/Quality:

99.90% ^*data from raw suppliers

2-Butyryldimedone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)C1C(=O)CC(CC1=O)(C)C
Uses 2-Butyryldimedone is an intermediate in the preparation of 1,3-cyclohexanedione derivatives used to make herbicides and antimicrobial compounds.

Technology Process of 1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-oxobutyl)-

There total 10 articles about 1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-oxobutyl)- 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: 41.0%