4-Methylpentyl benzoate

Base Information

Chemical Name:4-Methylpentyl benzoate
CAS No.:5444-77-9
Molecular Formula:C13H18 O2
Molecular Weight:206.285
Hs Code.:
NSC Number:19157
DSSTox Substance ID:DTXSID80280949
Nikkaji Number:J504.904K
Wikidata:Q63395319

Synonyms:4-methylpentyl benzoate;5444-77-9;isohexyl benzoate;NSC19157;Benzoic acid, isohexyl ester;SCHEMBL14937504;DTXSID80280949;UUNAMHRNRUJYDO-UHFFFAOYSA-N;NSC-19157;Q63395319

Suppliers and Price of 4-Methylpentyl benzoate

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 8 raw suppliers

Chemical Property of 4-Methylpentyl benzoate

Chemical Property:

Vapor Pressure:0.0043mmHg at 25°C
Boiling Point:278.3°C at 760 mmHg
Flash Point:117.2°C
Density:0.981g/cm³
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:206.130679813
Heavy Atom Count:15
Complexity:181

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCOC(=O)C1=CC=CC=C1

Technology Process of 4-Methylpentyl benzoate

There total 2 articles about 4-Methylpentyl benzoate 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: 90.0%

: 626-89-1
4-Methyl-1-pentanol

: 98-88-4
benzoyl chloride

: 5444-77-9
4-methylpentyl benzoate

Guidance literature:: With pyridine; In dichloromethane; at 20 ℃; for 3.5h;
DOI:10.1055/s-0032-1318325

Reference yield:

: 626-89-1
4-Methyl-1-pentanol

: 65-85-0,8013-63-6
benzoic acid

: 5444-77-9
4-methylpentyl benzoate

Guidance literature:: With poly(ethylene glycol) 1000 based dicationic acidic ionic liquid; In toluene; at 80 ℃; for 1h; Ionic liquid;
DOI:10.1016/j.molcata.2013.07.013

Reference yield: 100.0%

: 5444-77-9
4-methylpentyl benzoate

: 4-chloro-4-methylpentyl benzoate

Guidance literature:: With dichloro(1,10-phenanthroline) copper(II); 1-azido-1λ³-benzo[d][1,2]iodaoxol-3(1H)-one; In 1,2-dichloro-ethane; at 50 ℃; for 48h; Inert atmosphere; Sealed tube;
DOI:10.1002/anie.202016548