(E)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one

Base Information

Chemical Name:(E)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
CAS No.:67401-26-7
Molecular Formula:C13H20 O
Molecular Weight:192.301
Hs Code.:
European Community (EC) Number:266-683-4
UNII:I4CE2G8IBV
DSSTox Substance ID:DTXSID401209592
Nikkaji Number:J127.458I,J2.372.628I
Wikidata:Q27280433
Metabolomics Workbench ID:158004
Mol file:67401-26-7.mol

Synonyms:67401-26-7;(E)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one;EINECS 266-683-4;UNII-I4CE2G8IBV;I4CE2G8IBV;3-[(E)-but-2-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;2-Cyclohexen-1-one, 3-(2-butenyl)-2,4,4-trimethyl-, (E)-;5,8-Megastigmadien-4-one;2-Cyclohexen-1-one, 3-(2-butenyl)-2,4,4-trimethyl-, (Z)-;SCHEMBL11241178;DTXSID401209592;MEGASTIGMA-5,8(E)-DIEN-4-ONE;Q27280433;(E)-3-(2-butenyl)-2,4,4-trimethyl-2-cyclohexen-1-one;3-[(E)-2-Butenyl]-2,4,4-trimethyl-2-cyclohexen-1-one;2-cyclohexen-1-one, 3-[(2E)-2-butenyl]-2,4,4-trimethyl-;3-(2E)-2-Buten-1-yl-2,4,4-trimethyl-2-cyclohexen-1-one;3-[(2E)-but-2-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

Suppliers and Price of (E)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one

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 3 raw suppliers

Chemical Property of (E)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one

Chemical Property:

PSA：17.07000
LogP:3.65820
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:192.151415257
Heavy Atom Count:14
Complexity:292

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CCC1=C(C(=O)CCC1(C)C)C
Isomeric SMILES:C/C=C/CC1=C(C(=O)CCC1(C)C)C

Technology Process of (E)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one

There total 12 articles about (E)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one 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: 90.0%

: 67401-27-8
3-(but-3-enyl)-2,4,4-trimethylcyclohex-2-en-1-one

: 67401-26-7
(E)-3-(2-butenyl)-2,4,4-trimethyl-2-cyclohexen-1-one

Guidance literature:: With rhodium(III) chloride; In ethanol; at 70 ℃; for 0.75h;
DOI:10.1016/S0040-4020(00)00314-8

Reference yield: 12.0%

: 122304-99-8
10-chloro-6,10-dimethyl-2(Z),6(Z)-undecadien-4-yne

: 28102-26-3,31089-96-0
1,5,5,9-tetramethyl-bicyclo<4.3.0>non-8-en-7-one

: 67401-26-7
(E)-3-(2-butenyl)-2,4,4-trimethyl-2-cyclohexen-1-one

: 16204-57-2
2,3-dihydro-1,1,4,5-tetramethyl-1H-indene

Guidance literature:: With formic acid; In water; for 0.5h; Heating;
DOI:10.1016/S0040-4020(01)89793-3

Reference yield: 9.0%

: 122304-99-8
10-chloro-6,10-dimethyl-2(Z),6(Z)-undecadien-4-yne

: 67401-26-7
(E)-3-(2-butenyl)-2,4,4-trimethyl-2-cyclohexen-1-one

: 122305-01-5
2,6-dimethyl-5(Z),9(Z)-undecadien-7-yn-2-ol

: 66890-50-4
(2R*,5S*)-2,6,10,10-Tetramethyl-1-oxaspiro<4.5>deca-3,6-dien

: 66890-53-7
(2R*,5R*)-2,6,10,10-Tetramethyl-1-oxaspiro<4.5>deca-3,6-dien

Guidance literature:: With formic acid; In tetrahydrofuran; water; for 19h; Further byproducts given; Heating;
DOI:10.1016/S0040-4020(01)89793-3