4-Hydroxy-3,3-dimethylcyclohexanone

Base Information

Chemical Name:4-Hydroxy-3,3-dimethylcyclohexanone
CAS No.:888325-29-9
Molecular Formula:C8H14O2
Molecular Weight:142.198
Hs Code.:2914400090
DSSTox Substance ID:DTXSID50467583
Mol file:888325-29-9.mol

Synonyms:4-Hydroxy-3,3-dimethylcyclohexanone;888325-29-9;4-hydroxy-3,3-dimethylcyclohexan-1-one;SCHEMBL1642593;DTXSID50467583;TVEFGDBEVBAUDD-UHFFFAOYSA-N;MFCD18157601;AKOS022174750;HY-W047428;SB84534;BS-29812;CS-0099441;Y10490;EN300-1707846;A861401

Suppliers and Price of 4-Hydroxy-3,3-dimethylcyclohexanone

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
4-Hydroxy-3,3-dimethylcyclohexanone
10mg
$ 45.00

Matrix Scientific
4-Hydroxy-3,3-dimethylcyclohexanone 95%
5g
$ 3146.00

Matrix Scientific
4-Hydroxy-3,3-dimethylcyclohexanone 95%
1g
$ 1258.00

Crysdot
4-Hydroxy-3,3-dimethylcyclohexanone 95+%
250mg
$ 425.00

Chemenu
4-Hydroxy-3,3-dimethylcyclohexanone 95%
5g
$ 3036.00

Total 19 raw suppliers

Chemical Property of 4-Hydroxy-3,3-dimethylcyclohexanone

Chemical Property:

Boiling Point:229.8±33.0℃ (760 Torr)
PKA:14.66±0.40(Predicted)
Flash Point:93.1±18.0℃
PSA：37.30000
Density:1.027±0.06 g/cm3 (20 oC 760 Torr)
LogP:1.12650
Storage Temp.:2-8°C
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:142.099379685
Heavy Atom Count:10
Complexity:149

Purity/Quality:

97% ^*data from raw suppliers

4-Hydroxy-3,3-dimethylcyclohexanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=O)CCC1O)C

Technology Process of 4-Hydroxy-3,3-dimethylcyclohexanone

There total 2 articles about 4-Hydroxy-3,3-dimethylcyclohexanone 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: 88.0%

: 131206-74-1
(+/-)-2,2-dimethyl-4,4-ethylendioxy-1-cyclohexanol

: 888325-29-9
(+/-)-4-hydroxy-3,3-dimethylcyclohexanone

Guidance literature:: With hydrogenchloride; In methanol; water; at 20 ℃;

Reference yield:

: 134409-06-6
4,4-ethylenedioxy-2,2-dimethylcyclohexanone

: 888325-29-9
(+/-)-4-hydroxy-3,3-dimethylcyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / sodium borohydride / ethanol / 4 h / 20 °C

2: 85 percent / aq. hydrochloric acid / acetone / 1 h / Heating

With hydrogenchloride; sodium tetrahydroborate; In ethanol; acetone;
DOI:10.1021/jm060257t

Reference yield: 84.0%

: 888325-29-9
(+/-)-4-hydroxy-3,3-dimethylcyclohexanone

: 4-hydroxy-3,3-dimethylcyclohexan-1-one oxime

Guidance literature:: With hydroxylamine hydrochloride; sodium hydrogencarbonate; In methanol; at 20 ℃; Large scale;
DOI:10.1021/acs.jmedchem.1c00388