1-Phenylpropyl butyrate

Base Information

Chemical Name:1-Phenylpropyl butyrate
CAS No.:10031-86-4
Molecular Formula:C13H18 O2
Molecular Weight:206.285
Hs Code.:
European Community (EC) Number:233-094-9
UNII:059AL5405N
DSSTox Substance ID:DTXSID30864192
Nikkaji Number:J155.078K
Wikidata:Q27236098
Metabolomics Workbench ID:47326
Mol file:10031-86-4.mol

Synonyms:1-Phenylpropyl butyrate;1-Phenylpropyl butanoate;10031-86-4;Butanoic acid, 1-phenylpropyl ester;Ethyl phenyl carbinyl butyrate;alpha-Ethylbenzyl butyrate;alpha-Phenylpropyl butyrate;1-Phenyl-1-propyl butyrate;FEMA No. 2424;Butyric acid, alpha-ethylbenzyl ester;UNII-059AL5405N;EINECS 233-094-9;059AL5405N;Butyric acid, .alpha.-ethylbenzyl ester;1-Phenylpropylbutyrate;a-Ethylbenzyl butyrate;1-phenyl propyl butyrate;alpha-ethyl benzyl butyrate;SCHEMBL3505279;FEMA 2424;DTXSID30864192;Butanoic acid 1-phenylpropyl ester;.ALPHA.-ETHYLBENZYL BUTYRATE;.ALPHA.-PHENYLPROPYL BUTYRATE;.ALPHA.-ETHYLBENZYL BUTYRATE [FHFI];Q27236098

Suppliers and Price of 1-Phenylpropyl butyrate

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 1-Phenylpropyl butyrate

Chemical Property:

Vapor Pressure:0.00817mmHg at 25°C
Boiling Point:267.4°Cat760mmHg
Flash Point:98.2°C
PSA：26.30000
Density:0.986g/cm³
LogP:3.48100
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:206.130679813
Heavy Atom Count:15
Complexity:183

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)OC(CC)C1=CC=CC=C1

Technology Process of 1-Phenylpropyl butyrate

There total 11 articles about 1-Phenylpropyl butyrate 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: 84.0%

: 638-11-9
isopropyl butyrate

: 93-54-9
1-Phenyl-1-propanol

: 1565-74-8
(R)-1-phenyl-1-propanol

: 613-87-6
(S)-1-phenyl-1-propanol

: 10031-86-4,140390-61-0
(R)-1-phenylpropyl butyrate

: 93-55-0
1-phenyl-propan-1-one

Guidance literature:: With [(C4Ph4COHOCC4Ph4)(μ-H)][(CO)4Ru2]; Novozym(R) 435; 2,4-dimethylpentan-3-one; In toluene; at 70 ℃; for 40h; under 142.511 Torr;
DOI:10.1016/j.tetasy.2005.02.028