4-Methylnonanoic acid

Base Information

Chemical Name:4-Methylnonanoic acid
CAS No.:45019-28-1
Deprecated CAS:124842-68-8
Molecular Formula:C10H20O2
Molecular Weight:172.268
Hs Code.:2915900090
European Community (EC) Number:256-180-8
UNII:5BKU622F1K
DSSTox Substance ID:DTXSID80866121
Nikkaji Number:J319.941J
Wikidata:Q27261793
Metabolomics Workbench ID:46711
Mol file:45019-28-1.mol

Synonyms:4-Methylnonanoic acid;45019-28-1;Nonanoic acid, 4-methyl-;4-Methylpelargonic acid;4-methyl nonanoic acid;FEMA No. 3574;4-Methylnonan-1-oic acid;Methylpelargonic acid;EINECS 256-180-8;UNII-5BKU622F1K;AI3-30047;5BKU622F1K;MFCD00051789;4-METHYLNONANOICACID;l-4-Methylnonanoic acid;SCHEMBL415729;DTXSID80866121;CHEBI:179535;LMFA01020408;4-METHYLNONANOIC ACID [FHFI];4-Methylnonanoic acid, >=97%, FG;AKOS015950858;(+/-)-4-METHYLNONANOIC ACID;DS-6046;LS-2944;4-METHYLNONANOIC ACID, (+/-)-;SY048647;CS-0152333;FT-0619093;M2380;D70230;A826703;Q27261793

Suppliers and Price of 4-Methylnonanoic 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
4-Methylnonanoic acid
500mg
$ 75.00

TCI Chemical
4-Methylnonanoic Acid >97.0%(GC)(T)
5mL
$ 48.00

TCI Chemical
4-Methylnonanoic Acid >97.0%(GC)(T)
25mL
$ 150.00

Sigma-Aldrich
4-Methylnonanoic acid ≥97%, FG
25 g
$ 181.00

Sigma-Aldrich
4-Methylnonanoic acid ≥97%, FG
25g-k
$ 181.00

Sigma-Aldrich
4-Methylnonanoic acid ≥97%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
4-Methylnonanoic acid ≥97%, FG
sample-k
$ 50.00

Sigma-Aldrich
4-Methylnonanoic acid ≥97%, FG
1 kg
$ 3280.00

Sigma-Aldrich
4-Methylnonanoic acid ≥97%, FG
1kg-k
$ 3280.00

Sigma-Aldrich
4-Methylnonanoic acid ≥97%, FG
100 g
$ 599.00

Total 66 raw suppliers

Chemical Property of 4-Methylnonanoic acid

Chemical Property:

Vapor Pressure:0.00178mmHg at 25°C
Refractive Index:n20/D 1.4355(lit.)
Boiling Point:271.626 °C at 760 mmHg
PKA:4.80±0.10(Predicted)
Flash Point:142.258 °C
PSA：37.30000
Density:0.913 g/cm³
LogP:3.06760
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:172.146329876
Heavy Atom Count:12
Complexity:121

Purity/Quality:

99%, ^*data from raw suppliers

4-Methylnonanoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C
Statements: 34-43-52/53
Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCCC(C)CCC(=O)O

Technology Process of 4-Methylnonanoic acid

There total 12 articles about 4-Methylnonanoic 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: 97.0%

: 592-76-7
1-Heptene

: 124-38-9,18923-20-1
carbon dioxide

: 2386-64-3
ethylmagnesium chloride

: 45019-28-1
4-Methylnonanoic acid

Guidance literature:: 1-Heptene; ethylmagnesium chloride; With triisopropyl phosphite; tantalum pentachloride; In tetrahydrofuran; at 20 ℃; for 3h;

carbon dioxide; In tetrahydrofuran; at 0 ℃; for 3h;

With hydrogenchloride; In tetrahydrofuran; water;
DOI:10.1007/s10600-018-2305-3

Reference yield:

: 111-12-6,53073-28-2
methyl 2-octynoate

: 45019-28-1
4-Methylnonanoic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 79 percent / diethyl ether / 1.5 h / -78 °C

2: 90 percent / hydrogen / PtO₂ / methanol / 12 h / 100 °C / 76000 Torr

3: 96 percent / LiAlH₄ / diethyl ether / 3 h / Heating

4: pyridine / 1.) 1 h, 0 deg C; 2.) 4.5 h, 20 deg C

5: LiBr / acetone / 20 °C

6: 1.) Mg / 1.) diethyl ether

With lithium aluminium tetrahydride; hydrogen; magnesium; lithium bromide; platinum(IV) oxide; In pyridine; methanol; diethyl ether; acetone;

Reference yield:

: 30801-79-7,30801-85-5
(Z)-3-Methyl-oct-2-enoic acid methyl ester

: 45019-28-1
4-Methylnonanoic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 90 percent / hydrogen / PtO₂ / methanol / 12 h / 100 °C / 76000 Torr

2: 96 percent / LiAlH₄ / diethyl ether / 3 h / Heating

3: pyridine / 1.) 1 h, 0 deg C; 2.) 4.5 h, 20 deg C

4: LiBr / acetone / 20 °C

5: 1.) Mg / 1.) diethyl ether

With lithium aluminium tetrahydride; hydrogen; magnesium; lithium bromide; platinum(IV) oxide; In pyridine; methanol; diethyl ether; acetone;