115-76-4

Basic information

• Product Name: 2,2-DIETHYL-1,3-PROPANEDIOL
• Synonyms: 2,2-diethyl-3-propanediol;2,2-Diethylpropane-1,3-diol;2,2-Diethylpropanediol-1,3;3,3-Dimethylol pentane;Di-aethyl-propanediol;Dietilpropandiolo;MC 1415;mc1415
• CAS NO: 115-76-4
• Molecular Formula: C₇H₁₆O₂
• Molecular Weight: 132.2
• EINECS: 204-103-3
• Product Categories: Organic Building Blocks;Oxygen Compounds;Polyols;Building Blocks;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
• Mol File: 115-76-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 59-61 °C(lit.)
• Boiling Point: 160 °C (50 mmHg)
• Flash Point: 102 °C
• Appearance: white to slightly yellow crystalline powder
• Density: 0.9500
• Vapor Pressure: 0.00657mmHg at 25°C
• Refractive Index: 1.4574
• PKA: 14.52±0.10(Predicted)
• CAS DataBase Reference: 2,2-DIETHYL-1,3-PROPANEDIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DIETHYL-1,3-PROPANEDIOL(115-76-4)
• EPA Substance Registry System: 2,2-DIETHYL-1,3-PROPANEDIOL(115-76-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26
• WGK Germany: 2
• RTECS: TY5250000
• Hazardous Substances Data: 115-76-4(Hazardous Substances Data)

Usage

Chemical Properties

white to slightly yellow crystalline powder

Synthesis Reference(s)

Journal of the American Chemical Society, 70, p. 1982, 1948 DOI: 10.1021/ja01185a096

Purification Methods

Crystallise the diol from pet ether (b 65-70o). IRRITANT. [McKusick J Am Chem. Soc 70 1982 1948, Beilstein 1 III 2217, 1 IV 2589.]

InChI:InChI=1/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3

Upstream product

• 50-00-0 formaldehyd 
• 97-96-1 2-Ethylbutyraldehyde 
• 57-44-3 diethylbarbituric acid 
• 77-25-8 diethyl diethylmalonate 

Downstream Products

• 6009-77-4 2,2-Diaethyl-propandiol-(1,3)-dicarbamat 
• 25648-90-2 N.N.N'.N'.2.2-Hexaethyl-1.3-dicarbamoyloxy-propan 
• 780-85-8 5,5-diethyl-2-phenyl-[1,3]dioxane 
• 26261-90-5 8,8-diethyl-1,4-di-p-tolyl-6,10-dioxa-1,4-diaza-spiro[4.5]decane-2,3-dione 
• 26263-14-9 1,4-dicyclohexyl-8,8-diethyl-6,10-dioxa-1,4-diaza-spiro[4.5]decane-2,3-dione 
• 97-95-0 2-ethyl-1-butanol 
• 67-56-1 methanol 
• 97-96-1 2-Ethylbutyraldehyde 
• 490033-34-6 3,3-diethyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic Acid Diethyl Ester 
• 259139-19-0 3,4-(2,2-diethylpropane-1,3-diyldioxy)thiophene 
• 557795-98-9 diethyl N-benzyl-3,4-(2,2-diethyl-1,3-propylenedioxy)pyrrole-2,5-dicarboxylate 
• 1003-19-6 1,1-diethylcyclopropane 
• 162210-37-9 5,5-diethyl-2-(4-nitrobenzyl)-1,3,2-dioxaphosphorinan-2-oxide 
• 6309-57-5 2-benzyl-5,5-diethyl-1,3-dioxane 

Related news

ArticlesSome Attempts to Prolong the Duration of Action of 2,2-DIETHYL-1,3-PROPANEDIOL (cas 115-76-4) (Prenderol®)08/23/2019

Although 2,a-diethyl-1,3-propanediol (Prenderol®) is a compound of pharmacologic interest, it is difficult to use clinically because of its short duration of action. A series of 23 compounds related to 2,2-diethyl-1,3-propanediol and 2,2-diethyl malonic acid have been screened for anticonvulsant...detailed

Relevant articles and documents

The synthesis and crystal structure of β-substituted thiaporphyrins with novel cyclic substituents

21,23-Dithiaporphyrins and 21-monothiaporphyrins with propane-1,3-diyldioxy and its derivatives at the β-thiophene carbons were synthesized and characterized. The cyclic substituents introduced at the β-thiophene carbons altered the electronic properties of the porphyrins. The X-ray structure for 2,3-bis(2,2-dibenzylpropane-1,3-diyldioxy) substituted 21-monothiaporphyrin showed a more planar structure compared to the saddle shaped structure reported for β-unsubstituted 21-monothiaporphyrins.