2,2-Dimethyl-3-heptanol

Base Information

Chemical Name:2,2-Dimethyl-3-heptanol
CAS No.:19549-70-3
Molecular Formula:C9H20 O
Molecular Weight:144.257
Hs Code.:2905199090
NSC Number:97540
DSSTox Substance ID:DTXSID601313652
Nikkaji Number:J1.083.133D
Mol file:19549-70-3.mol

Synonyms:2,2-Dimethyl-3-heptanol;2,2-dimethylheptan-3-ol;19549-70-3;3-Heptanol, 2,2-dimethyl-;NSC97540;3-Heptanol,2-dimethyl-;2,2-Dimethyl-heptan-3-ol;SCHEMBL574359;DTXSID601313652;NSC 97540;NSC-97540;AKOS011018651;FT-0694425

Suppliers and Price of 2,2-Dimethyl-3-heptanol

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
2,2-Dimethyl-3-heptanol
500mg
$ 110.00

TRC
2,2-Dimethyl-3-heptanol
100mg
$ 60.00

Sigma-Aldrich
2,2-DIMETHYL-3-HEPTANOL Aldrich
1g
$ 33.40

Total 6 raw suppliers

Chemical Property of 2,2-Dimethyl-3-heptanol

Chemical Property:

Vapor Pressure:0.33mmHg at 25°C
Melting Point:6.15°C (estimate)
Refractive Index:1.4310
Boiling Point:176.6°Cat760mmHg
PKA:15.31±0.20(Predicted)
Flash Point:70°C
PSA：20.23000
Density:0.824g/cm³
LogP:2.58360
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:144.151415257
Heavy Atom Count:10
Complexity:81.2

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2,2-Dimethyl-3-heptanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(C(C)(C)C)O

Technology Process of 2,2-Dimethyl-3-heptanol

There total 16 articles about 2,2-Dimethyl-3-heptanol 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%

: 109-72-8,29786-93-4
n-butyllithium

: 630-19-3
pivalaldehyde

: 19549-70-3
2,2-dimethyl-heptan-3-ol

Guidance literature:: In diethyl ether; hexane; 1.) -78 deg C, 1 h, 2.) room temp., 2.5 h;
DOI:10.1021/jo00171a035

Reference yield: 86.0%

: 19078-97-8
2,2-dimethyl-3-heptanone

: 19549-70-3
2,2-dimethyl-heptan-3-ol

Guidance literature:: With chloro-trimethyl-silane; calcium hydride; zinc(II) chloride; In tetrahydrofuran; at 40 ℃; for 24h;
DOI:10.1016/j.tetlet.2007.10.123