5-Methylhexanoic acid

Base Information

Chemical Name:5-Methylhexanoic acid
CAS No.:628-46-6
Molecular Formula:C7H14 O2
Molecular Weight:130.187
Hs Code.:2915907098
European Community (EC) Number:215-534-1
NSC Number:1075
UNII:N1AK4X34C2
DSSTox Substance ID:DTXSID8044252
Nikkaji Number:J95.660K
Wikidata:Q27284388
Metabolomics Workbench ID:153
ChEMBL ID:CHEMBL3182412
Mol file:628-46-6.mol

Synonyms:5-methylhexanoic acid;5-methylhexylic acid;isoamylacetic acid;isoenanthic acid;isoheptanoic acid

Suppliers and Price of 5-Methylhexanoic acid

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

TCI Chemical
5-Methylhexanoic Acid >98.0%(T)(GC)
25mL
$ 122.00

TCI Chemical
5-Methylhexanoic Acid >98.0%(T)(GC)
5mL
$ 30.00

Matrix Scientific
5-Methylhexanoic acid 97%
5g
$ 27.00

Matrix Scientific
5-Methylhexanoic acid 97%
25g
$ 98.00

Matrix Scientific
5-Methylhexanoic acid 97%
100g
$ 265.00

American Custom Chemicals Corporation
5-METHYLHEXANOIC ACID 95.00%
100G
$ 2515.59

American Custom Chemicals Corporation
5-METHYLHEXANOIC ACID 95.00%
25G
$ 1111.11

American Custom Chemicals Corporation
5-METHYLHEXANOIC ACID 95.00%
5G
$ 770.39

Alfa Aesar
5-Methylhexanoic acid, 98%
10g
$ 69.30

Alfa Aesar
5-Methylhexanoic acid, 98%
50g
$ 258.00

Total 34 raw suppliers

Chemical Property of 5-Methylhexanoic acid

Chemical Property:

Vapor Pressure:0.0576mmHg at 25°C
Melting Point:-55.77°C (estimate)
Refractive Index:1.4220
Boiling Point:216°C
PKA:4.78±0.10(Predicted)
Flash Point:>100°C
PSA：37.30000
Density:0,91 g/cm3
LogP:1.89730
Water Solubility.:Slightly soluble in water.
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:130.099379685
Heavy Atom Count:9
Complexity:86.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Methylhexanoic Acid >98.0%(T)(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): A reproductive hazard.
Hazard Codes:Xi
Statements: 34-41
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(=O)O
Description 5-Methylhexanoic acid has a fermented cheese odor.
Uses Ion-exclusion chromatographic separations of C1-C6 aliphatic carboxylic acids on a sulfonated styrene-divinylbenzene co-polymer resin column, high sensitive conductimetric detection is achieved with 5-methylhexanoic acid as eluent.

Technology Process of 5-Methylhexanoic acid

There total 2 articles about 5-Methylhexanoic acid 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:

: 928-68-7
6-methylheptan-2-one

: 75-25-2
Bromoform

: 628-46-6
5-methylhexanoic acid

Guidance literature:

Reference yield:

: 592-41-6,25067-06-5
1-hexene

: 201230-82-2
carbon monoxide

: 111-71-7
heptanal

: 1860-39-5
5-methylhexanal

: 628-46-6
5-methylhexanoic acid

: 111-14-8
oenanthic acid

Guidance literature:: With Rh(acac)(CO)(tris(2-cyanoethyl)phosphine); hydrogen; In water; at 60 ℃; for 18h; under 45003.6 Torr; Rate constant; hydroformylation;
DOI:10.1016/S0022-328X(98)00842-0

Reference yield: 99.0%

: 628-46-6
5-methylhexanoic acid

: 627-98-5
5-methyl-1-hexanol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 24h; Inert atmosphere;
DOI:10.1055/s-0037-1610770