Isopropyl benzoate

Base Information Edit

Chemical Name:Isopropyl benzoate
CAS No.:939-48-0
Molecular Formula:C10H12 O2
Molecular Weight:164.204
Hs Code.:2916310090
European Community (EC) Number:213-361-6
UNII:1Q2618834N
DSSTox Substance ID:DTXSID9044746
Nikkaji Number:J36.027I
Wikidata:Q27252732
Metabolomics Workbench ID:45223
ChEMBL ID:CHEMBL2260721
Mol file:939-48-0.mol

Synonyms:ISOPROPYL BENZOATE;939-48-0;propan-2-yl benzoate;Benzoic acid, 1-methylethyl ester;Benzoic acid, isopropyl ester;BENZOIC ACID ISOPROPYL ESTER;1-Methylethyl benzoate;FEMA No. 2932;Isopropylester kyseliny benzoove;Isopropylbenzoate;EINECS 213-361-6;BRN 2044384;Isopropylester kyseliny benzoove [Czech];AI3-01132;DTXSID9044746;Benzoic acid,1-methylethyl ester;UNII-1Q2618834N;1Q2618834N;4-09-00-00289 (Beilstein Handbook Reference);(1,1,1,2,3,3,3-2H7)ISOPROPYL BENZOATE;iso-propyl benzoate;benzoic acid isopropyl;Isopropyl Benzoate (Ipb);Benzoic acid-isopropyl ester;SCHEMBL96918;Isopropyl benzoate, AldrichCPR;CHEMBL2260721;DTXCID7024746;FEMA 2932;ISOPROPYL BENZOATE [FHFI];ISOPROPYL BENZOATE [INCI];CHEBI:180402;Tox21_301496;BENZOIC ACID ISO-PROPYL ESTER;MFCD00048289;AKOS008017904;CS-W017911;HY-W017195;LS-2864;BENZOIC ACID 1-METHYLETHYL ESTER;NCGC00256252-01;AS-14785;CAS-939-48-0;B0073;FT-0622712;D88597;A844740;Q27252732;Z53835170

Suppliers and Price of Isopropyl benzoate

Supply Marketing:Edit

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
Isopropyl Benzoate
500mg
$ 70.00

TCI Chemical
Isopropyl Benzoate >99.0%(GC)
25mL
$ 78.00

SynQuest Laboratories
Isopropyl benzoate 99%
25 g
$ 35.00

Matrix Scientific
Isopropyl benzoate
50g
$ 69.00

Matrix Scientific
Isopropyl benzoate
25g
$ 35.00

American Custom Chemicals Corporation
ISOPROPYL BENZOATE 95.00%
50G
$ 2359.67

AK Scientific
Isopropyl Benzoate
100g
$ 382.00

AK Scientific
Isopropyl Benzoate
1g
$ 17.00

Total 72 raw suppliers

Chemical Property of Isopropyl benzoate Edit

Chemical Property:

Vapor Pressure:0.107mmHg at 25°C
Melting Point:-26.4oC
Refractive Index:1.4940 (20℃)
Boiling Point:221.5°Cat760mmHg
Flash Point:93°C
PSA：26.30000
Density:1.021g/cm³
LogP:2.25180
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Methanol (Slightly)
Water Solubility.:1mg/L at 20℃
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Heavy Atom Count:12
Complexity:146

Purity/Quality:

98% ^*data from raw suppliers

Isopropyl Benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC(=O)C1=CC=CC=C1
Description Synthesis: By heating benzoyl chloride and isopropyl alcohol.
Uses Isopropyl benzoate is used as an insecticide evaporation control agent.

Technology Process of Isopropyl benzoate

There total 206 articles about Isopropyl 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: 82.0%

: 93-89-0,99341-95-4
benzoic acid ethyl ester

: 67-63-0,8013-70-5
isopropyl alcohol

: 939-48-0
isopropyl benzoate

: 100-51-6,185532-71-2
benzyl alcohol

Guidance literature:: With potassium tert-butylate; hydrogen; C₁₆H₂₆BrN₃Ru; at 30 ℃; for 5h; under 7600.51 Torr; Autoclave; Green chemistry;
DOI:10.1055/s-0037-1611794