Methyl 4-phenylbutyrate

Base Information Edit

Chemical Name:Methyl 4-phenylbutyrate
CAS No.:2046-17-5
Molecular Formula:C11H14O2
Molecular Weight:178.231
Hs Code.:2916399090
European Community (EC) Number:218-067-1
NSC Number:133895
UNII:YMR11U800F
DSSTox Substance ID:DTXSID90174421
Nikkaji Number:J47.060K
Wikidata:Q27294592
Metabolomics Workbench ID:47325
Mol file:2046-17-5.mol

Synonyms:Methyl 4-phenylbutanoate;Methyl 4-phenylbutyrate;2046-17-5;Benzenebutanoic acid, methyl ester;Methyl benzenebutanoate;Butyric acid, 4-phenyl-, methyl ester;Methyl gamma-phenylbutyrate;FEMA No. 2739;UNII-YMR11U800F;YMR11U800F;4-phenyl-butyric acid methyl ester;EINECS 218-067-1;AI3-34132;4-Phenylbutanoic acid methyl ester;Methyl ester of benzenebutanoic acid;MFCD00043756;NSC 133895;NSC-133895;METHYL4-PHENYLBUTYRATE;Methyl-4-phenylbutyrate;methyl-4-phenylbutanoate;methyl 3-benzylpropionate;methyl 4-phenyl butyrate;SCHEMBL162806;Benzenebutanoic acid,methyl ester;FEMA 2739;4-phenylbutyric acid methyl ester;DTXSID90174421;CHEBI:173827;CS-D0496;BBL103090;LMFA07010955;METHYL .GAMMA.-PHENYLBUTYRATE;NSC133895;STL556900;AKOS000348977;METHYL 4-PHENYLBUTYRATE [FHFI];AS-48588;FT-0628659;F51620;Q27294592

Suppliers and Price of Methyl 4-phenylbutyrate

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
Methyl4-Phenylbutyrate
50mg
$ 45.00

Matrix Scientific
Methyl 4-phenylbutyrate
5g
$ 101.00

Crysdot
Methyl4-phenylbutanoate 97%
5g
$ 115.00

Crysdot
Methyl4-phenylbutanoate 97%
1g
$ 35.00

Crysdot
Methyl4-phenylbutanoate 97%
25g
$ 380.00

Crysdot
Methyl4-phenylbutanoate 97%
10g
$ 190.00

American Custom Chemicals Corporation
METHYL-4-PHENYLBUTYRATE 95.00%
25G
$ 1370.41

American Custom Chemicals Corporation
METHYL-4-PHENYLBUTYRATE 95.00%
5G
$ 856.20

AK Scientific
METHYL4-PHENYLBUTYRATE
1g
$ 414.80

AK Scientific
METHYL4-PHENYLBUTYRATE
100mg
$ 171.20

Total 16 raw suppliers

Chemical Property of Methyl 4-phenylbutyrate Edit

Chemical Property:

Appearance/Colour:clear to pale yellow liquid
Vapor Pressure:0.0133mmHg at 25°C
Melting Point:78oC
Refractive Index:1.499
Boiling Point:258.9 °C at 760 mmHg
Flash Point:112.2 °C
PSA：26.30000
Density:1.016 g/cm³
LogP:2.18230
Storage Temp.:2-8°C
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:148

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-Phenylbutyrate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CCCC1=CC=CC=C1
Description Methyl 4-phenylbutyrate has a powerful, sweet, fruity, floral odor. Below 10 ppm, the flavor is extremely sweet and fruity. May be prepared by direct esterification of γγ-butyric acid.

Technology Process of Methyl 4-phenylbutyrate

There total 82 articles about Methyl 4-phenylbutyrate 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: 100.0%