3-ETHYL-3-HEPTANOL

Base Information

Chemical Name:3-ETHYL-3-HEPTANOL
CAS No.:19780-41-7
Molecular Formula:C9H20 O
Molecular Weight:144.257
Hs Code.:2905199090
European Community (EC) Number:243-301-4
NSC Number:96959
UNII:RM4GV9TV9Y
DSSTox Substance ID:DTXSID70173477
Nikkaji Number:J225.277E
Wikidata:Q83043543
Mol file:19780-41-7.mol

Synonyms:1,1-Diethylpentanol;3-Ethyl-3-heptanol; 3-Hydroxy-3-ethylheptane; NSC 96959

Suppliers and Price of 3-ETHYL-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
3-ethylheptan-3-ol
100mg
$ 45.00

Sigma-Aldrich
3-ETHYL-3-HEPTANOL Aldrich
1g
$ 33.40

Total 8 raw suppliers

Chemical Property of 3-ETHYL-3-HEPTANOL

Chemical Property:

Vapor Pressure:0.217mmHg at 25°C
Melting Point:6.15°C (estimate)
Refractive Index:1.4340
Boiling Point:183.8°Cat760mmHg
Flash Point:71.1°C
PSA：20.23000
Density:0.825g/cm³
LogP:2.72770
Water Solubility.:548.5mg/L(temperature not stated)
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:144.151415257
Heavy Atom Count:10
Complexity:74.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-ethylheptan-3-ol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(CC)(CC)O

Technology Process of 3-ETHYL-3-HEPTANOL

There total 33 articles about 3-ETHYL-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: 90.0%

: 126-73-8
phosphoric acid tributyl ester

: 96-22-0
pentan-3-one

: 19780-41-7
3-ethylheptan-3-ol

Guidance literature:: With lithium; In tetrahydrofuran; at -30 ℃; for 0.25h;
DOI:10.1016/S0040-4020(01)85573-3

Reference yield: 90.0%

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

: 201230-82-2
carbon monoxide

: 96-22-0
pentan-3-one

: 19780-41-7
3-ethylheptan-3-ol

: 85083-65-4
3-hydroxy-3-ethyl-4-octanone

Guidance literature:: With ammonium chloride; In tetrahydrofuran; diethyl ether; hexane; pentane; 1.) -110 +/- 5 deg C, 2.) 2h, -110 deg C, 3.) 1h, 4.) 1h, RT;
DOI:10.1021/jo00155a057