Isoamyl salicylate

Base Information

Chemical Name:Isoamyl salicylate
CAS No.:87-20-7
Deprecated CAS:34377-38-3
Molecular Formula:C12H16O3
Molecular Weight:208.257
Hs Code.:29182300
European Community (EC) Number:201-730-4
NSC Number:7952
UNII:M25E4ZMR0N
DSSTox Substance ID:DTXSID9041655
Nikkaji Number:J4.275G
Wikidata:Q2214309
RXCUI:1940006
Metabolomics Workbench ID:48917
ChEMBL ID:CHEMBL2260718
Mol file:87-20-7.mol

Synonyms:isoamyl salicylate

Suppliers and Price of Isoamyl salicylate

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

AK Scientific
Isoamyl Salicylate (contains 2-Methylbutyl Salicylate)
1mL
$ 14.00

American Custom Chemicals Corporation
3-METHYLBUTYL 2-HYDROXYBENZOATE 95.00%
1KG
$ 6728.34

Chem-Impex
Isoamylsalicylate,98-100%(GC),meetsFGspecifications,KOSHER,FEMA2084Hazmat 98-100%(GC)
250G
$ 33.78

Crysdot
Isopentyl2-hydroxybenzoate 97%
500g
$ 87.00

TCI Chemical
Isoamyl Salicylate (contains 2-Methylbutyl Salicylate)
500mL
$ 145.00

TCI Chemical
Isoamyl Salicylate (contains 2-Methylbutyl Salicylate)
25mL
$ 34.00

Total 87 raw suppliers

Chemical Property of Isoamyl salicylate

Chemical Property:

Appearance/Colour:colorless liquid,color No.4 max
Vapor Pressure:0.003mmHg at 25°C
Refractive Index:n20/D 1.507(lit.)
Boiling Point:276 °C at 760 mmHg
PKA:8.15±0.30(Predicted)
Flash Point:109.9 °C
PSA：46.53000
Density:1.083 g/cm³
LogP:2.59510
Storage Temp.:2-8°C
Water Solubility.:145mg/L(25 oC)
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Heavy Atom Count:15
Complexity:201

Purity/Quality:

99% ^*data from raw suppliers

Isoamyl Salicylate (contains 2-Methylbutyl Salicylate) ^*data from reagent suppliers

Safty Information:

Pictogram(s): N
Hazard Codes:N
Statements: 51/53
Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)CCOC(=O)C1=CC=CC=C1O
Description Isoamyl salicylate has a characteristic aromatic, strong herbaceous, persistent odor and a bittersweet taste reminiscent of strawberry. May be prepared by esterification of salicylic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
Uses Isoamyl Salicylate is used in preparation of Hydrogen Peroxide responsive Oxalic Acid derivatives for imaging and therapy. In perfumery and soaps.

Technology Process of Isoamyl salicylate

There total 3 articles about Isoamyl salicylate 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: