4-Methyloctanoic acid

Base Information Edit

Chemical Name:4-Methyloctanoic acid
CAS No.:54947-74-9
Deprecated CAS:153831-54-0
Molecular Formula:C9H18O2
Molecular Weight:158.241
Hs Code.:2915 90 70
European Community (EC) Number:259-404-2
UNII:5545264N9R
DSSTox Substance ID:DTXSID70866453
Nikkaji Number:J267.356H
Wikidata:Q27261272
Metabolomics Workbench ID:302
Mol file:54947-74-9.mol

Synonyms:4-methyloctanoic acid

Suppliers and Price of 4-Methyloctanoic acid

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
HircinoicAcid
1g
$ 45.00

TCI Chemical
4-Methyl-n-octanoic Acid >98.0%(T)
5g
$ 55.00

Sigma-Aldrich
(±)-4-Methyloctanoic acid ≥98%,FG
100 g
$ 496.00

Sigma-Aldrich
(±)-4-Methyloctanoic acid ≥98%, FG
100g-k
$ 496.00

Sigma-Aldrich
(±)-4-Methyloctanoic acid ≥98%,FG
1 kg
$ 2960.00

Sigma-Aldrich
(±)-4-Methyloctanoic acid ≥98%, FG
1kg-k
$ 2960.00

Sigma-Aldrich
(R,S)-(+,-)-4-Methyloctanoic acid for synthesis. CAS 54947-74-9, molar mass 158.24 g/mol., for synthesis
8161040025
$ 378.00

Sigma-Aldrich
(R,S)-(+,-)-4-Methyloctanoic acid for synthesis
25 mL
$ 361.67

Sigma-Aldrich
(±)-4-Methyloctanoic acid ≥98%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
(±)-4-Methyloctanoic acid ≥98%, FG
sample-k
$ 50.00

Total 100 raw suppliers

Chemical Property of 4-Methyloctanoic acid Edit

Chemical Property:

Appearance/Colour:COA
Vapor Pressure:0.0057mmHg at 25°C
Melting Point:-29.5°C (estimate)
Refractive Index:n20/D 1.433(lit.)
Boiling Point:253.4 °C at 760 mmHg
PKA:4.78±0.10(Predicted)
Flash Point:129.7 °C
PSA：37.30000
Density:0.919 g/cm³
LogP:2.67750
Storage Temp.:−20°C
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:158.130679813
Heavy Atom Count:11
Complexity:110

Purity/Quality:

98% ^*data from raw suppliers

HircinoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C,Xi,Xn
Statements: 34-36/37/38-21/22
Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCC(C)CCC(=O)O
Description 4-Methyloctanoic acid, also known as Hircinoic Acid, presents as a colorless to pale-yellow oil. It is slightly soluble in chloroform, DMSO and ethyl acetate. Store in a tightly closed container in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. This substance is stable under recommended storage conditions. 4-Methyloctanoic Acid is incompatible with strong oxidizing agents as well as strong bases. This chemical causes severe skin burns and eye damage.
Physical properties 4-Methyloctanoic acid is one of the acids mainly responsible for the so-called "soo" odour of mutton. The analogue 4-Ethyloctanoic acid (found in Virginia tobacco and Costus root oil) also has a related goaty odor; this analog has the lowest threshold of all the fatty acids at 1.8 ppb. 4-Methyloctanoic acid is used in flavours for cheese, meat, tobacco and (possibly) fish. Normal use levels in finished consumer product: up to 3 ppm.

Technology Process of 4-Methyloctanoic acid

There total 34 articles about 4-Methyloctanoic 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%

: 56196-53-3,54831-51-5
(+/-)-Ethyl 4-methyloctanoate

: 54947-74-9
rac-4-methyloctanoic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 2.5h; Heating;
DOI:10.1021/jf0704662

Reference yield: 73.0%

: 171627-77-3
(6R)-2,6-Dimethyl-2-decene

: 54947-74-9,128342-72-3,128342-71-2
(4R)-4-Methyloctanoic acid

Guidance literature:: With sodium periodate; rhodium(III) chloride hydrate; In tetrachloromethane; water; acetonitrile; at 20 ℃; for 5h;
DOI:10.1016/j.tetasy.2016.01.014