3,7-Dimethyloctanoic acid

Base Information

Chemical Name:3,7-Dimethyloctanoic acid
CAS No.:5698-27-1
Deprecated CAS:57030-79-2
Molecular Formula:C₁₀H₂₀O₂
Molecular Weight:172.268
Hs Code.:
European Community (EC) Number:227-175-8
NSC Number:67873
DSSTox Substance ID:DTXSID80863599
Nikkaji Number:J40.455A
Wikidata:Q67879882
Mol file:5698-27-1.mol

Synonyms:3,7-Dimethyloctanoic acid;5698-27-1;Octanoic acid, 3,7-dimethyl-;Tetrahydrogeranic acid;Ethyl nerolate;3,7-Dimethyloctanoicacid;Geranic acid, tetrahydro-;Citronellic acid, dihydro-;EINECS 227-175-8;NSC 67873;AI3-05966;Dihydrocitronellic acid;Octanoic acid,7-dimethyl-;3,7-Dimethyl-octanoic acid;SCHEMBL1683970;DTXSID80863599;NSC67873;NSC-67873;AKOS000276988;AKOS017404959;A1-08462;Q67879882

Suppliers and Price of 3,7-Dimethyloctanoic 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

Matrix Scientific
3,7-Dimethyloctanoic acid 95%
5g
$ 1650.00

American Custom Chemicals Corporation
3,7-DIMETHYLOCTANOIC ACID 95.00%
5MG
$ 499.46

A1 Biochem Labs
3,7-Dimethyl-octanoicacid 95%
5 g
$ 1150.00

Total 8 raw suppliers

Chemical Property of 3,7-Dimethyloctanoic acid

Chemical Property:

Vapor Pressure:0.00224mmHg at 25°C
Refractive Index:1.44
Boiling Point:268.1°C at 760 mmHg
PKA:4.80±0.10(Predicted)
Flash Point:123.2°C
PSA：37.30000
Density:0.911g/cm³
LogP:2.92350
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:172.146329876
Heavy Atom Count:12
Complexity:130

Purity/Quality:

99% ^*data from raw suppliers

3,7-Dimethyloctanoic acid 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)CC(=O)O

Technology Process of 3,7-Dimethyloctanoic acid

There total 19 articles about 3,7-Dimethyloctanoic 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: 100.0%

: 459-80-3
geranic acid

: 32531-52-5,55509-77-8,57030-79-2,5698-27-1
3,7-dimethyloctanoic acid

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In ethanol; for 2h; under 1810.07 Torr;
DOI:10.1039/c8md00582f

Reference yield: 98.0%

: 502-47-6,57030-77-0
racemic citronellic acid

: 32531-52-5,55509-77-8,57030-79-2,5698-27-1
3,7-dimethyloctanoic acid

Guidance literature:: With hydrogen; In ethanol; at 20 ℃; for 2h; under 760.051 Torr; chemoselective reaction;
DOI:10.1002/adsc.201100569

Reference yield: 80.0%

: 106-21-8,59204-02-3
tetrahydrogeraniol

: 32531-52-5,55509-77-8,57030-79-2,5698-27-1
3,7-dimethyloctanoic acid

Guidance literature:: With Oxone; 2-Iodobenzoic acid; tetra(n-butyl)ammonium hydrogensulfate; In ethyl acetate; at 70 ℃; for 7h;
DOI:10.1055/s-2005-924764