Benzene, 1-butyl-3-methyl-

Base Information

Chemical Name:Benzene, 1-butyl-3-methyl-
CAS No.:1595-04-6
Molecular Formula:C11H16
Molecular Weight:148.248
Hs Code.:2902909090
DSSTox Substance ID:DTXSID4074271
Nikkaji Number:J61.499H
Wikidata:Q82002677
Mol file:1595-04-6.mol

Synonyms:1-butyl-3-methylbenzene;Benzene, 1-butyl-3-methyl-;1595-04-6;1-Methyl-3-n-Butylbenzene;1-butyl-3-methyl-benzene;DTXSID4074271;m-Butyltoluene [UN2667] [Keep away from food]

Suppliers and Price of Benzene, 1-butyl-3-methyl-

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 6 raw suppliers

Chemical Property of Benzene, 1-butyl-3-methyl-

Chemical Property:

Vapor Pressure:0.364mmHg at 25°C
Melting Point:-44.72°C (estimate)
Refractive Index:1.4890
Boiling Point:205.1°Cat760mmHg
Flash Point:70.7°C
PSA：0.00000
Density:0.864g/cm³
LogP:3.27520
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:148.125200510
Heavy Atom Count:11
Complexity:96.2

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC=CC(=C1)C

Technology Process of Benzene, 1-butyl-3-methyl-

There total 12 articles about Benzene, 1-butyl-3-methyl- 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: 78.0%

: 108-41-8
1-chloro-3-methylbenzene

: 34219-54-0
n-butylzinc iodide

: 1595-04-6
3-butyltoluene

Guidance literature:: With n-butyllithium; triphenylphosphine; lithium chloride; nickel dichloride; In tetrahydrofuran; at 35 ℃; for 48h;
DOI:10.1016/S0040-4039(98)02271-0

Reference yield: 75.0%

: 108-41-8
1-chloro-3-methylbenzene

: 693-04-9
butyl magnesium bromide

: 612-75-9
3,3'-dimethyl-biphenyl

: 1595-04-6
3-butyltoluene

Guidance literature:: With triphenylphosphine; lithium bromide; Ni(II)/C; In tetrahydrofuran; for 1h; Heating;
DOI:10.1021/jo020297e

Reference yield: 17.0%

: 623-26-7
terephthalonitrile

: 109-65-9
1-bromo-butane

: 620-22-4
3-Methylbenzonitrile

: 4'-butyl-2'-methylbiphenyl-4-carbonitrile

: 4-butyl-4-cyano-1-(p-cyanophenyl)-2-methylcyclohexa-2,5-diene

: 1595-04-6
3-butyltoluene

: 1-butyl-1-cyano-3-methyl-2,5-cyclohexadiene

Guidance literature:: terephthalonitrile; In ammonia; at -33 ℃;

3-Methylbenzonitrile; In ammonia; for 1h;

1-bromo-butane; In ammonia; for 1.25h; Further byproducts given;
DOI:10.1002/ejoc.200400851