3,3-dimethylhexanoic Acid

Base Information

Chemical Name:3,3-dimethylhexanoic Acid
CAS No.:90808-83-6
Molecular Formula:C8H16 O2
Molecular Weight:144.21
Hs Code.:
DSSTox Substance ID:DTXSID60463632
Wikidata:Q82288613
Mol file:90808-83-6.mol

Synonyms:3,3-dimethylhexanoic Acid;90808-83-6;Hexanoic acid, 3,3-dimethyl-;SCHEMBL974936;DTXSID60463632;RXGNLXFTAIDOBZ-UHFFFAOYSA-N;AKOS006277177;FT-0691963;EN300-187971;Z1198160073

Suppliers and Price of 3,3-dimethylhexanoic 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
3,3-dimethylhexanoicacid
10mg
$ 45.00

American Custom Chemicals Corporation
3,3-DIMETHYLHEXANOIC ACID 95.00%
5MG
$ 495.48

Total 3 raw suppliers

Chemical Property of 3,3-dimethylhexanoic Acid

Chemical Property:

PSA：37.30000
LogP:2.28740
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:144.115029749
Heavy Atom Count:10
Complexity:116

Purity/Quality:

99% ^*data from raw suppliers

3,3-dimethylhexanoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3,3-dimethylhexanoic Acid

There total 18 articles about 3,3-dimethylhexanoic 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%

: 116169-12-1
ethyl 3,3-dimethylhexanoate

: 90808-83-6
3,3-dimethylhexanoic acid

Guidance literature:: With sodium hydroxide; In ethanol; water; at 72 ℃;
DOI:10.1021/ja026788y

Reference yield: 95.1%

: 64-17-5
ethanol

: 116169-12-1
ethyl 3,3-dimethylhexanoate

: 90808-83-6
3,3-dimethylhexanoic acid

Guidance literature:: With sodium hydroxide; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water;

Reference yield:

: 4325-82-0
4-methyl pent-3-en-2-ol

: 90808-83-6
3,3-dimethylhexanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: Hg(OAc)2

2: 170 - 180 °C

3: Ag₂O / aq. ethanol

4: H₂ / Pd

With mercury(II) diacetate; hydrogen; silver(l) oxide; palladium; In ethanol;
DOI:10.1021/ja01502a057