2-Methylhexanoic acid

Base Information

Chemical Name:2-Methylhexanoic acid
CAS No.:4536-23-6
Deprecated CAS:22160-12-9
Molecular Formula:C7H14O2
Molecular Weight:130.187
Hs Code.:29159080
European Community (EC) Number:224-883-9
UNII:LUK37N0QM8
DSSTox Substance ID:DTXSID9044241
Nikkaji Number:J108.732K
Wikidata:Q27283189
Metabolomics Workbench ID:150
ChEMBL ID:CHEMBL1789229
Mol file:4536-23-6.mol

Synonyms:2-METHYLHEXANOIC ACID;4536-23-6;2-Methylcaproic acid;Hexanoic acid, 2-methyl-;2-Methylhexanoicacid;2-methyl hexanoic acid;2-Hexanecarboxylic acid;Methylhexanoic acid;alpha-Methylcaproic acid;2-methyl-hexanoic acid;FEMA No. 3191;.alpha.-Methylcaproic acid;2-?Methylhexanoic acid;Hexanoic acid, methyl-;EINECS 224-883-9;UNII-LUK37N0QM8;BRN 1721227;LUK37N0QM8;DTXSID9044241;104490-70-2;alpha-methylhexanoic acid;hexane-2-carboxylic acid;alpha -Methylcaproic acid;(-)-2-methylhexanoic acid;SCHEMBL22555;2-Methylhexanoic acid, 99%;CHEMBL1789229;DTXCID7024241;CVKMFSAVYPAZTQ-UHFFFAOYSA-;FEMA 3191;CHEBI:138489;Tox21_302640;LMFA01020080;MFCD00002674;s6079;2-METHYLHEXANOIC ACID [FHFI];2-Methylhexanoic acid, >=99%, FG;AKOS009158603;EK-0701;SB74015;NCGC00256711-01;LS-75337;CAS-4536-23-6;HY-128371;CS-0099247;FT-0613050;M0947;D91409;EN300-196066;A826786;Q27283189;Z756390480

Suppliers and Price of 2-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

TRC
2-Methylhexanoic acid
500mg
$ 65.00

TRC
2-Methylhexanoic acid
250mg
$ 55.00

TCI Chemical
2-Methylhexanoic Acid >98.0%(GC)(T)
25mL
$ 114.00

TCI Chemical
2-Methylhexanoic Acid >98.0%(GC)(T)
5mL
$ 40.00

Sigma-Aldrich
2-Methylhexanoic acid ≥99%, FG
1 kg
$ 807.00

Sigma-Aldrich
2-Methylhexanoic acid ≥99%, FG
1kg-k
$ 807.00

Sigma-Aldrich
2-Methylhexanoic acid ≥99%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
2-Methylhexanoic acid ≥99%, FG
sample-k
$ 50.00

Sigma-Aldrich
2-Methylhexanoic acid 99%
5g
$ 49.60

Sigma-Aldrich
2-Methylhexanoic acid ≥99%, FG
100 g
$ 171.00

Total 49 raw suppliers

Chemical Property of 2-Methylhexanoic acid

Chemical Property:

Appearance/Colour:clear colorless to slightly yellow liquid
Vapor Pressure:0.0576mmHg at 25°C
Melting Point:-55.77°C (estimate)
Refractive Index:n20/D 1.422(lit.)
Boiling Point:215.3 °C at 760 mmHg
PKA:4.82±0.21(Predicted)
Flash Point:102.8 °C
PSA：37.30000
Density:0.935 g/cm³
LogP:1.89730
Water Solubility.:Soluble in water
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:130.099379685
Heavy Atom Count:9
Complexity:88.9

Purity/Quality:

99% ^*data from raw suppliers

2-Methylhexanoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCC(C)C(=O)O
Description 2-methylhexanoic acid is a medium-chain fatty acid with an aliphatic tail that contains between 4 and 12 carbon atoms. It naturally occurs in Bothriochloa bladhii. 2-methylhexanoic acid has a unique profile with a great combination of cheese and fruit characteristics which work perfectly in either savory or sweet applications.

Technology Process of 2-Methylhexanoic acid

There total 50 articles about 2-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: 95.0%

: 359862-15-0
(2R',4R)-3-(2-methylhexanoyl)-4-benzyl-2-oxazolidinone

: 4536-23-6
2-methylhexanoic acid

Guidance literature:: With lithium hydroxide; dihydrogen peroxide; In tetrahydrofuran; water; at 0 ℃; for 0.5h;
DOI:10.1021/jo0104431

Reference yield: 74.0%

: 925-54-2
2-methylhexanal

: 4536-23-6
2-methylhexanoic acid

Guidance literature:: With 2-hydroxypyridin; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 20 ℃; for 72h;
DOI:10.1002/1521-3773(20021104)41:21<4059::AID-ANIE4059>3.0.CO;2-R

Reference yield: 18.6%

: 110-54-3
hexane

: 201230-82-2
carbon monoxide

: 20225-24-5
2-ethylvaleric acid

: 4536-23-6
2-methylhexanoic acid

Guidance literature:: With dipotassium peroxodisulfate; C₂₆H₃₈Cu₃N₄O₁₆; water; In acetonitrile; at 60 ℃; for 6h; Reagent/catalyst; Autoclave; Green chemistry;
DOI:10.1039/c6nj02150f