Butyric acid-1-13C

Base Information

Chemical Name:Butyric acid-1-13C
CAS No.:38765-83-2
Molecular Formula:C4H8 O2
Molecular Weight:89.0953
Hs Code.:
European Community (EC) Number:623-013-9
DSSTox Substance ID:DTXSID10431003
Wikidata:Q82244770
Mol file:38765-83-2.mol

Synonyms:Butyric acid-1-13C;(113C)butanoic acid;38765-83-2;Butyric-1-13c acid;DTXSID10431003;Butyric acid-1-13C, 99 atom % 13C

Suppliers and Price of Butyric acid-1-13C

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

Sigma-Aldrich
Butyric acid-1-13C 99 atom %
1g
$ 447.00

American Custom Chemicals Corporation
BUTYRIC ACID-1-13C 95.00%
1G
$ 1009.62

Total 1 raw suppliers

Chemical Property of Butyric acid-1-13C

Chemical Property:

Melting Point:-6--3 °C(lit.)
Refractive Index:n20/D 1.3969(lit.)
Boiling Point:162 °C(lit.)
Flash Point:170 °F
PSA：37.30000
Density:0.975 g/mL at 25 °C
LogP:0.87110
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:89.055784329
Heavy Atom Count:6
Complexity:49.5

Purity/Quality:

97% ^*data from raw suppliers

Butyric acid-1-13C 99 atom % ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C
Statements: 20/21/22-34
Safety Statements: 26-27-36/37/39-45-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)O
Isomeric SMILES:CCC[13C](=O)O

Technology Process of Butyric acid-1-13C

There total 4 articles about Butyric acid-1-13C 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: 91.0%

: 1111-72-4
carbon dioxide

: 106-94-5
propyl bromide

: 38765-83-2
<1-13C>butyric acid

Guidance literature:: With magnesium;

Reference yield:

: 74-98-6
propane

: 1641-69-6
[13C]Carbon monoxide

: 76-05-1
trifluoroacetic acid

: 38765-83-2
<1-13C>butyric acid

: 431-47-0
trifluoroacetic acid-methyl ester

: 400-38-4
isopropyl Trifluoroacetate

: 6228-78-0
<(13)C1>isobutyric acid

Guidance literature:: With dipotassium peroxodisulfate; Ca[V{ON(CH₂COO)2}2] (amavadine model); at 80 ℃; for 20h; under 6308.42 Torr; Further byproducts.;
DOI:10.1002/adsc.200600575