2,2-Diethyl-1,3-propanediol

Base Information Edit

Chemical Name:2,2-Diethyl-1,3-propanediol
CAS No.:115-76-4
Molecular Formula:C7H16O2
Molecular Weight:132.203
Hs Code.:2905399090
European Community (EC) Number:204-103-3
NSC Number:169507,12211
UNII:A40PF8120T
DSSTox Substance ID:DTXSID50150923
Nikkaji Number:J5.272H
Wikipedia:Prenderol
Wikidata:Q27273593
NCI Thesaurus Code:C87609
Mol file:115-76-4.mol

Synonyms:2,2-DIETHYL-1,3-PROPANEDIOL;Prenderol;115-76-4;2,2-Diethylpropane-1,3-diol;1,3-Propanediol, 2,2-diethyl-;Dietilpropandiolo;2,2-Diethylpropanediol;3,3-Bis(hydroxymethyl)pentane;Di-aethyl-propanediol;2,2-Diethylpropanediol-1,3;Penderol;Prendiol;MC 1415;NSC 12211;Di-aethyl-propanediol [German];2,2-diethyl-propane-1,3-diol;EINECS 204-103-3;BRN 1697711;UNII-A40PF8120T;AI3-05584;A40PF8120T;NSC-12211;1, 2,2-diethyl-;4-01-00-02589 (Beilstein Handbook Reference);WLN: Q1X2 & 2 & 1Q;2,2-Dihydroxy-2,2-diethylpropane;3,3-Dimethylol pentane;C(CC)(CC)(CO)CO;SCHEMBL45094;2,2-diethyl 1,3-propanediol;DTXSID50150923;CHEBI:134759;2,2-diethyl-1,3-dihydroxypropane;2,2-Diethyl-2,2-dihydroxypropane;NSC12211;2-ethyl-2-hydroxymethyl-butan-1-ol;MFCD00004695;NSC169507;AKOS015901561;2,2-Diethyl-1,3-propanediol, 99%;HY-W294348;NSC-169507;AS-60015;BP-30039;LS-120326;CS-0339248;D0522;FT-0609222;EN300-85217;A803482;J-506788;Q27273593

Suppliers and Price of 2,2-Diethyl-1,3-propanediol

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

SynQuest Laboratories
2,2-Diethyl-1,3-propanediol
50 g
$ 160.00

Sigma-Aldrich
2,2-Diethyl-1,3-propanediol 99%
100g
$ 67.60

BroadPharm
2,2-diethyl-1,3-propanediol 98%
50 G
$ 43.00

Apolloscientific
2,2-Diethyl-1,3-propanediol
50g
$ 135.00

Total 35 raw suppliers

Chemical Property of 2,2-Diethyl-1,3-propanediol Edit

Chemical Property:

Appearance/Colour:white to slightly yellow crystalline powder
Vapor Pressure:0.00657mmHg at 25°C
Melting Point:59-61 °C(lit.)
Refractive Index:1.451
Boiling Point:240.499 °C at 760 mmHg
PKA:14.52±0.10(Predicted)
Flash Point:101.139 °C
PSA：40.46000
Density:0.95 g/cm³
LogP:0.77740
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:132.115029749
Heavy Atom Count:9
Complexity:61.3

Purity/Quality:

99% ^*data from raw suppliers

2,2-Diethyl-1,3-propanediol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CC)(CO)CO

Technology Process of 2,2-Diethyl-1,3-propanediol

There total 5 articles about 2,2-Diethyl-1,3-propanediol 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: 74.0%