CID 61008

Base Information

Chemical Name:CID 61008
CAS No.:104-27-8
Molecular Formula:C12H14O2
Molecular Weight:190.242
Hs Code.:2914509090
DSSTox Substance ID:DTXSID4047412
Wikidata:Q72517862
ChEMBL ID:CHEMBL3189032
Mol file:104-27-8.mol

Synonyms:DTXSID4047412;CHEMBL3189032;NCGC00248213-01;FT-0605863

Suppliers and Price of CID 61008

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
α-Methylanisalacetone
1g
$ 1440.00

Crysdot
1-(4-Methoxyphenyl)pent-1-en-3-one 97%
1g
$ 297.00

Crysdot
1-(4-Methoxyphenyl)pent-1-en-3-one 97%
5g
$ 941.00

American Custom Chemicals Corporation
1-(4-METHOXYPHENYL)-1-PENTENE-3-ONE 95.00%
5MG
$ 499.93

Ambeed
1-(4-Methoxyphenyl)pent-1-en-3-one 97%
1g
$ 260.00

Ambeed
1-(4-Methoxyphenyl)pent-1-en-3-one 97%
250mg
$ 104.00

Ambeed
1-(4-Methoxyphenyl)pent-1-en-3-one 97%
100mg
$ 52.00

Alichem
1-(4-Methoxyphenyl)pent-1-en-3-one
1g
$ 291.00

Alichem
1-(4-Methoxyphenyl)pent-1-en-3-one
5g
$ 988.00

AHH
1-(4-Methoxyphenyl)-1-pentene-3-one 98%
100g
$ 395.00

Total 41 raw suppliers

Chemical Property of CID 61008

Chemical Property:

Appearance/Colour:light yellow crystal
Vapor Pressure:0.000139mmHg at 25°C
Melting Point:61 °C
Refractive Index:1.542
Boiling Point:333.2 °C at 760 mmHg
Flash Point:151.5 °C
PSA：26.30000
Density:1.03 g/cm³
LogP:2.68750
Storage Temp.:Amber Vial, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:190.099379685
Heavy Atom Count:14
Complexity:200

Purity/Quality:

99% ^*data from raw suppliers

α-Methylanisalacetone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 43
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)C=CC1=CC=C(C=C1)OC
Description 1 -(p-Methoxypheny 1)-1 -penten-3-one has an odor similar to butter, sweet and lasting. It has a sweet, fruity taste at low levels and a slightly burning taste at higher levels. Prepared by saturation at room temperature of a mixture of anisaldehyde and methyl ethyl ketone with HCL, or by treating α-methyl-α-(4-hydroxy)benzylidene acetone with methyl iodide in alkaline solution.
Uses Flavoring. α-Methylanisalacetone is used in skin sensitization measuring method.

Technology Process of CID 61008

There total 6 articles about CID 61008 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: 80.0%

: 130489-98-4
(E)-1-(4-Methoxy-phenyl)-pent-1-en-3-ol

: 104-27-8
1-(4-methoxy-phenyl)-pent-1-en-3-one

Guidance literature:: With p-benzoquinone; In diethylene glycol dimethyl ether; at 120 ℃; for 24h;
DOI:10.1016/S0040-4039(00)97659-7

Reference yield: 51.0%

: 1629-58-9
4-penten-3-one

: 65365-76-6
4-methylphenyl 4’-methoxyphenyl telluride

: 69849-80-5
1-(4-methylphenyl)-1-penten-3-one

: 104-27-8
1-(4-methoxy-phenyl)-pent-1-en-3-one

Guidance literature:: With silver(I) acetate; triethylamine; palladium dichloride; In methanol; at 25 ℃; for 3h; stereoselective reaction;
DOI:10.1016/j.tetlet.2009.07.092

Reference yield:

: 1629-58-9
4-penten-3-one

: 623-12-1
4-chloromethoxybenzene

: 104-27-8
1-(4-methoxy-phenyl)-pent-1-en-3-one

Guidance literature:: With C₃₄H₂₇Cl₂NO₃P₂Pd; potassium carbonate; In water; N,N-dimethyl-formamide; for 6h; Reflux;
DOI:10.1016/j.jorganchem.2019.03.002