Ethanol-d

Base Information

• Chemical Name: Ethanol-d
• CAS No.: 925-93-9
• Molecular Formula: C2H5 D O
• Molecular Weight: 47.0611
• Hs Code.: 28459000
• European Community (EC) Number: 213-128-9
• DSSTox Substance ID: DTXSID50919138
• Nikkaji Number: J256.541B
• Wikidata: Q82891588
• Mol file: 925-93-9.mol

Synonyms:Ethanol-d;925-93-9;deuteriooxyethane;Ethanol-d1;Ethyl alcohol-d;Ethyl (2)alcohol;Ethanol-OD, 99 atom % D;Ethyl [2]alcohol;EINECS 213-128-9;Ethanol-OD;Ethan(ol-d);EtOD;ethan(?H)ol;Ethanol-d(9ci);(O-2H)Ethanol;Ethan(~2~H)ol;C2H5DO;Ethyl alcohol-d, anhydrous;Ethan(ol-d) 99 atom % D;C2-H5-D-O;DTXSID50919138;Ethyl Alcohol D;(Ethanol D);Ethanol-OD, >=99.5 atom % D;MFCD00044669;AKOS015902634;E0221;Ethanol-OD, 95% in D2O, 99 atom % D;E79204

Chemical Property of Ethanol-d

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: -130 °C(lit.)
• Refractive Index: n20/D 1.359(lit.)
• Boiling Point: 72.6 °C at 760 mmHg
• Flash Point: 8.9 °C
• PSA: 20.23000
• Density: 0.78 g/cm³
• LogP: -0.00140
• Storage Temp.: Flammables area
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 47.048141557
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

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

Ethanol-d ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 7-16-2017/7/16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCO
• Isomeric SMILES: [2H]OCC
• Uses: ETHANOL-D is used in alcoholic beverages in suitable dilutions. Other uses are as solvent in laboratory and industry , in the manufacture of denatured alcohol, pharmaceuticals, in perfumery , in organic synthesis. Ethan(ol-d) may be used as a source of deuterium for the deuterium exchange reaction of ethyl acetoacetate.

Technology Process of Ethanol-d

There total 45 articles about Ethanol-d 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: 99.0%

ethoxy(diphenyl)-λ6-sulfanenitrile (127022-76-8) → ethyl [2]alcohol (925-93-9) + S,S-diphenylsulphoximine (22731-83-5)

Guidance literature:

With [D₃]acetonitrile; water-d2; In phosphate buffer; at 20 ℃; for 0.75h; pH=6.1; Further Variations:; pH-values; Reagents; Solvents; Temperatures; Kinetics; Thermodynamic data; Product distribution;

DOI:10.1246/bcsj.73.957

Reference yield: 64.0%

(C5(CH3)5)IrP(C6H5)3(D)(OCH2CH3) → (C5(CH3)5)Ir(P(C6H5)3)2 + ethyl [2]alcohol (925-93-9)

Guidance literature:

With triphenyl phosphine; In benzene-d6; ⁽²⁾H₈-toluene; (N2); dissolved Ir-compound with 1 drop toluene-d-8; placed in NMR tube; added triphenyl phosphine; (2)H NMR;

Reference yield:

chloroform-d1 (865-49-6) + diethoxyltriphenylphosphorane (86852-11-1,18509-25-6) → chloroethane (75-00-3) + ethyl [2]alcohol (925-93-9) + ethyl deuterioformate (35976-76-2) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

at 70 ℃; for 72h;

upstream raw materials:

diethyl sulphide

ethanol

orthocarbonic acid tetraethyl ester

sodium ethanolate

Downstream raw materials:

methane-d3

C₁₈H₂₄⁽²⁾HNO₃

closo-3,3-(PPh₃)2-3-H-3,1,2-RhC₂B₉H₁₁

acetaldehyde

Refernces

• 1、 Pasto,Meyer. "". . p. 1257. Retrieved 1968.
• 2、 Liu, Changjun,Sun, Junming,Brown, Heather M.,Marin-Flores, Oscar G.,Bays, J. Timothy,Karim, Ayman M.,Wang, Yong. "Aqueous phase hydrodeoxygenation of polyols over Pd/WO3-ZrO2: Role of Pd-WO3 interaction and hydrodeoxygenation pathway". . p. 103 - 109. Retrieved 2016/05/11.
• 3、 Serrano-Ruiz, Manuel,Lidrissi, Chaker,Ma?as, Sonia,Peruzzini, Maurizio,Romerosa, Antonio. "Synthesis, reactivity and catalytic properties of the allenylidene [Ru(C=C=CPh2)Cp(PTA)(PPh3)](CF3SO3) (PTA = 1,3,5-triaza-7-phosphaadamantane)". . p. 654 - 661. Retrieved 2014/03/21.