3-Methyl-2,4-pentanedione

Base Information

Chemical Name:3-Methyl-2,4-pentanedione
CAS No.:815-57-6
Molecular Formula:C6H10O2
Molecular Weight:114.144
Hs Code.:2914190090
European Community (EC) Number:212-420-3
NSC Number:15756
UNII:NF8ZG9V2JE
DSSTox Substance ID:DTXSID70231142
Nikkaji Number:J110.475F
Wikidata:Q83111971
ChEMBL ID:CHEMBL1650633
Mol file:815-57-6.mol

Synonyms:3-methyl-2,4-pentanedione

Suppliers and Price of 3-Methyl-2,4-pentanedione

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
3-Methyl-2,4-pentanedione
500mg
$ 75.00

TCI Chemical
3-Methyl-2,4-pentanedione >96.0%(T)
25mL
$ 384.00

TCI Chemical
3-Methyl-2,4-pentanedione >96.0%(T)
5mL
$ 77.00

Sigma-Aldrich
3-Methyl-2,4-pentanedione, mixture of tautomers technical grade, 85%
25g
$ 110.00

American Custom Chemicals Corporation
3-METHYL-2,4-PENTANEDIONE 95.00%
5G
$ 808.96

American Custom Chemicals Corporation
3-METHYL-2,4-PENTANEDIONE 95.00%
2.5G
$ 746.88

American Custom Chemicals Corporation
3-METHYL-2,4-PENTANEDIONE 95.00%
1G
$ 597.87

Ambeed
3-Methyl-2,4-pentanedione 97%
25g
$ 155.00

Ambeed
3-Methyl-2,4-pentanedione 97%
10g
$ 64.00

Ambeed
3-Methyl-2,4-pentanedione 97%
5g
$ 36.00

Total 51 raw suppliers

Chemical Property of 3-Methyl-2,4-pentanedione

Chemical Property:

Appearance/Colour:clear colourless to yellow liquid
Vapor Pressure:0.0638mmHg at 25°C
Melting Point:-7.75°C (estimate)
Refractive Index:n20/D 1.442(lit.)
Boiling Point:173 °C at 760 mmHg
PKA:pK1:10.87 (25°C)
Flash Point:56.7 °C
PSA：34.14000
Density:0.934 g/cm³
LogP:0.80050
Storage Temp.:0-10°C
Water Solubility.:Soluble in water.
XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:114.068079557
Heavy Atom Count:8
Complexity:102

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-2,4-pentanedione ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C(=O)C)C(=O)C
Uses 3-Methyl-2,4-pentanedione involves in asymmetric substitution of 1,3-diphenyl-2-propenyl acetate catalyzed by amphiphilic resin-supported monodentate phosphine ligands can occur.

Technology Process of 3-Methyl-2,4-pentanedione

There total 30 articles about 3-Methyl-2,4-pentanedione 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: 96.0%

: 123-54-6,81235-32-7
acetylacetone

: 74-88-4
methyl iodide

: 815-57-6
3-Methyl-2,4-pentanedione

Guidance literature:: With P(MeNCH₂CH₂)3N; In hexane; acetonitrile; at 25 ℃; for 0.5h;
DOI:10.1021/jo972350i

Reference yield: 88.0%

: 123-54-6,81235-32-7
acetylacetone

: 815-57-6
3-Methyl-2,4-pentanedione

Guidance literature:: In methyl 2-cyanoacetate;

Reference yield: 77.0%

: 96-14-0
3-methylpentane

: 77-74-7
3-methylpentan-3-ol

: 815-57-6
3-Methyl-2,4-pentanedione

Guidance literature:: With iodosylbenzene; In dichloromethane; at 25 ℃; for 2h; Reagent/catalyst; Catalytic behavior; Inert atmosphere;
DOI:10.1021/jacs.7b09553