Acetic acid-D

Base Information

• Chemical Name: Acetic acid-D
• CAS No.: 758-12-3
• Molecular Formula: C2H4O2
• Molecular Weight: 61.0446
• Hs Code.: 28459000
• European Community (EC) Number: 212-059-1
• DSSTox Substance ID: DTXSID70997190
• Nikkaji Number: J193.119I
• Wikidata: Q82989213
• Mol file: 758-12-3.mol

Synonyms:ACETIC ACID-D;758-12-3;deuterio acetate;Acetic acid-d1;Acetic(2H)acid;Acetic (2H)acid;Monodeuteroacetic Acid;EINECS 212-059-1;Acetic [2H]acid;MFCD00051050;Acetic (acid-d);ethan(?H)oic acid;(O-2H)Acetic acid;CH3COOD;(O-~2~H)Acetic acid;C2H3DO2;Acetic acid-d, 99 atom % D;DTXSID70997190;AKOS015892954;A0636;F87420

Chemical Property of Acetic acid-D

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 11.4 mm Hg ( 20 °C)
• Melting Point: 15-16 °C(lit.)
• Refractive Index: n20/D 1.3715(lit.)
• Boiling Point: 117.1 °C at 760 mmHg
• Flash Point: 40 °C
• PSA: 37.30000
• Density: 1.059 g/mL at 25 °C(lit.)
• LogP: 0.09090
• Storage Temp.: Flammables area
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 61.027406112
• Heavy Atom Count: 4
• Complexity: 31

Purity/Quality:

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

Acetic acid-d ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-35
• Safety Statements: 23-26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)O
• Isomeric SMILES: [2H]OC(=O)C

Technology Process of Acetic acid-D

There total 51 articles about Acetic acid-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: 99.9%

acetic anhydride (108-24-7) → deuteroacetic acid (758-12-3)

Guidance literature:

With water-d2;

Reference yield: 97.2%

water-d2 (7789-20-0) + acetic anhydride (108-24-7) → deuteroacetic acid (758-12-3)

Guidance literature:

In water-d2; reaction at 60°C for 2 hours;; CH3COOD removed by distillation in vac.;;

Reference yield:

d(4)-methanol (811-98-3) + Benzyl acetate (140-11-4) → deuteroacetic acid (758-12-3) + methyl acetate-d3 (24704-57-2) + ethylbenzene (100-41-4,27536-89-6) + benzyl trideuteromethyl ether (57455-05-7) + 2-phenylethanol-α,α,hydroxy-d3 + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7)

Guidance literature:

for 1h; Product distribution; Mechanism; Quantum yield; Ambient temperature; Irradiation; various reaction conditions;

DOI:10.1007/BF00698496

upstream raw materials:

potassium acetate

silver(I) acetate

acetic anhydride

acetyl chloride

Downstream raw materials:

toluene-d₂

p-deuteriofluorobenzene

methane-d2

(4R/S,5S)-(4-2H)-4,5-Dihydro-5-methyl-2-phenyloxazol-4-carbonsaeure-methylester

Refernces

• 1、 Verdone et al.. "". . p. 843,848. Retrieved 1975.
• 2、 Suga, Hiroyuki,Iwai, Taichi,Shimizu, Masahiro,Takahashi, Kie,Toda, Yasunori. "Efficient generation of an oxidopyrylium ylide using a Pd catalyst and its [5+2] cycloadditions with several dipolarophiles". . p. 1109 - 1112. Retrieved 2018.
• 3、 Sahiro, Koichi,Ide, Yusuke,Sano, Tsuneji,Sadakane, Masahiro. "One-pot synthesis of microporous and mesoporous (NH4) 3PW12O40 by reaction of in-situ generated PW12O403- with NH4+ in a strongly acidic solution". . p. 4157 - 4162. Retrieved 2013.
• 4、 Trahanovsky,Bohlen. "". . p. 2192,2196, 2197. Retrieved 1972.
• 5、 Pandey,Barton. "". . p. 3459. Retrieved 1970.
• 6、 Mal, Sourjya,Uttry, Alexander,Van Gemmeren, Manuel. "Late-Stage β-C(sp3)-H Deuteration of Carboxylic Acids". supporting information. p. 10895 - 10901. Retrieved 2021/08/03.
• 7、 Zhu, Yao,Fang, Siyuan,Chen, Shaoqin,Tong, Youjie,Wang, Chunling,Hu, Yun Hang. "Highly efficient visible-light photocatalytic ethane oxidation into ethyl hydroperoxide as a radical reservoir". . p. 5825 - 5833. Retrieved 2021/05/07.