2-Methyl-4-heptanone

Base Information

• Chemical Name: 2-Methyl-4-heptanone
• CAS No.: 626-33-5
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2914190090
• European Community (EC) Number: 210-943-1
• UNII: 9EPS3PVK5G
• DSSTox Substance ID: DTXSID4060816
• Nikkaji Number: J110.710K
• Wikidata: Q81989198
• Metabolomics Workbench ID: 5494
• Mol file: 626-33-5.mol

Synonyms:2-methyl-4-heptanone

Chemical Property of 2-Methyl-4-heptanone

Chemical Property:

• Vapor Pressure: 2.44mmHg at 25°C
• Melting Point: -32.24°C (estimate)
• Refractive Index: 1.4090 to 1.4110
• Boiling Point: 155°C
• Flash Point: 44°C
• PSA: 17.07000
• Density: 0,81 g/cm3
• LogP: 2.40170
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 84.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-4-heptanone >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)CC(C)C

Technology Process of 2-Methyl-4-heptanone

There total 22 articles about 2-Methyl-4-heptanone 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: 87.0%

2-methyl-4-heptanol (21570-35-4) → 2-methyl-4-heptanone (626-33-5)

Guidance literature:

With jones' reagent;

DOI:10.1023/B:JOEC.0000006377.13235.4b

Reference yield:

methanol (67-56-1) → TETRAHYDROPYRANE (142-68-7) + 2-methyloxane (10141-72-7) + 2-ethyltetrahydropyran (3857-14-5) + 2-butyltetrahydropyran (4676-74-8) + pentanal (110-62-3) + ethanol (64-17-5) + methyl 2-methylpentanoate (2177-77-7) + Dimethyl ether (115-10-6,157621-61-9) + 2-methyl-propan-1-ol (78-83-1) + 2,4-dimethyl-3-pentanol (600-36-2) + Methyl formate (107-31-3) + Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + butanoic acid methyl ester (623-42-7) + methyl valerate (624-24-8) + 2,4-Dimethyl-3-pentanone (18641-70-8) + 2-methyl-4-heptanone (626-33-5) + 2,4,5-trimethyl-hexan-3-one (23936-98-3) + 3-butyl ketone (19549-84-9) + nonanone-5 (502-56-7) + 3-ethylheptan-4-one (1528-25-2) + acetaldehyde (75-07-0,9002-91-9) + propionaldehyde (123-38-6) + 2,5-hexanedione (110-13-4) + isobutyraldehyde (78-84-2) + 2,4-dimethylpentan-3-one (565-80-0)

Guidance literature:

Cu-Zn-Mg-Al based catalyst; hydrogen reduced; at 249.84 ℃; Product distribution / selectivity;

Reference yield:

butanoic acid anhydride (106-31-0) + 2-methylpropylmagnesium chloride (5674-02-2) → 2-methyl-4-heptanone (626-33-5) + isobutyl n-butyrate (539-90-2)

Guidance literature:

With diethyl ether;

upstream raw materials:

butanoic acid anhydride

2-methylpropylmagnesium chloride

1-(furan-2-yl)-2-methylpropan-1-ol

6-methyl-2-hepten-4-one

Downstream raw materials:

3-methylbutyric acid

propionic acid

acetone

Refernces

• 1、 Perez,Campos,Chinchilla,Oehlschlager,Gries,Gries,Giblin-Davis,Castrillo,Pena,Duncan,Gonzalez,Pierce Jr.,McDonald,Andrade. "Aggregation pheromones and host kairomones of West Indian sugarcane weevil, Metamasius hemipterus sericeus". . p. 869 - 888. Retrieved 2007/10/03.