1-Hexen-3-one, 5-methyl-1-phenyl-

Base Information Edit

Chemical Name:1-Hexen-3-one, 5-methyl-1-phenyl-
CAS No.:2892-18-4
Molecular Formula:C13H16O
Molecular Weight:188.269
Hs Code.:2914399090
European Community (EC) Number:808-311-0,220-760-9
NSC Number:31025,11849
UNII:ZGH79M666G
DSSTox Substance ID:DTXSID5062687,DTXSID701292037
Nikkaji Number:J49.441K,J2.040.130C
Mol file:2892-18-4.mol

Synonyms:Isobutyl Styryl Ketone;2892-18-4;1-Hexen-3-one, 5-methyl-1-phenyl-;5-Methyl-1-phenylhex-1-en-3-one;Styryl isobutyl ketone;5-Methyl-1-phenyl-1-hexen-3-one;Isobutylstyryl ketone;(E)-5-methyl-1-phenylhex-1-en-3-one;NSC 31025;ZGH79M666G;EINECS 220-760-9;NSC 11849;NSC-11849;NSC-31025;60796-12-5;AI3-16642;WLN: 1Y1&1V1U1R;EC 808-311-0;UNII-ZGH79M666G;SCHEMBL2124073;DTXSID5062687;LLVCDRTZBYXKII-CMDGGOBGSA-;LLVCDRTZBYXKII-CMDGGOBGSA-N;DTXSID701292037;CAA89218;NSC11849;NSC31025;MFCD00026487;AKOS022953903;(E)-5-Methyl-1-phenyl-1-hexene-3-one;(1E)-5-Methyl-1-phenyl-1-hexen-3-one;(E)-5-methyl-1-phenyl-hex-1-en-3-one;5-Methyl-1-phenyl-1-hexen-3-one, trans;I0253;(1E)-5-Methyl-1-phenyl-1-hexen-3-one #;W-109836;InChI=1/C13H16O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+

Suppliers and Price of 1-Hexen-3-one, 5-methyl-1-phenyl-

Supply Marketing:Edit

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

TCI Chemical
Isobutyl Styryl Ketone
25mL
$ 256.00

Crysdot
5-Methyl-1-phenylhex-1-en-3-one 95+%
25g
$ 308.00

American Custom Chemicals Corporation
ISOBUTYL STYRYL KETONE 95.00%
25ML
$ 1300.13

AK Scientific
Isobutyl Styryl Ketone
25ml
$ 662.00

Total 17 raw suppliers

Chemical Property of 1-Hexen-3-one, 5-methyl-1-phenyl- Edit

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Melting Point:43 °C
Refractive Index:1.538
Boiling Point:302.3 °C at 760 mmHg
Flash Point:111.2 °C
PSA：17.07000
Density:0.97 g/cm³
LogP:3.31500
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:188.120115130
Heavy Atom Count:14
Complexity:197

Purity/Quality:

98% ^*data from raw suppliers

Isobutyl Styryl Ketone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-Hexen-3-one, 5-methyl-1-phenyl-

There total 21 articles about 1-Hexen-3-one, 5-methyl-1-phenyl- 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: 91.0%

: 4798-46-3
5-methylhex-1-en-3-ol

: 98-80-6
phenylboronic acid

: 2892-18-4
5-methyl-1-phenyl-hex-1-en-3-one

Guidance literature:: 5-methylhex-1-en-3-ol; With oxygen; palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 4h; under 760.051 Torr; Green chemistry;

phenylboronic acid; With 2.9-dimethyl-1,10-phenanthroline; In N,N-dimethyl-formamide; at 90 ℃; for 18h; Green chemistry;
DOI:10.1039/c4ra07478e

Reference yield: 89.0%

: 563-80-4
3-methyl-butan-2-one

: 100-52-7
benzaldehyde

: 2892-18-4,60796-12-5
(E)-5-methyl-1-phenylhex-1-en-3-one

Guidance literature:: With sodium hydroxide; In ethanol; water; at 20 ℃; for 24h; Inert atmosphere; Green chemistry;
DOI:10.1002/cmdc.201500385