55320-65-5

Basic information

• Product Name: HEXANOIC-2,2-D2 ACID
• Synonyms: CAPROIC ACID-2,2-D2;HEXANOIC ACID-2,2-D2;HEXANOIC-2,2-D2 ACID;HEXANOIC-2,2-D2 ACID, 98 ATOM % D;(S)-(+)-Pregabalin-d4 (aminomethyl-d2;Hexanoic--d2 Acid
• CAS NO: 55320-65-5
• Molecular Formula: C₆H₁₂O₂
• Molecular Weight: 118.17
• Mol File: 55320-65-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: −3 °C(lit.)
• Boiling Point: 202-203 °C(lit.)
• Flash Point: 220 °F
• Appearance: /
• Density: 0.943 g/mL at 25 °C
• Refractive Index: n20/D 1.416(lit.)
• Storage Temp.: Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: HEXANOIC-2,2-D2 ACID(CAS DataBase Reference)
• NIST Chemistry Reference: HEXANOIC-2,2-D2 ACID(55320-65-5)
• EPA Substance Registry System: HEXANOIC-2,2-D2 ACID(55320-65-5)

Safety Data

• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 23-26-27-36/37/39-45
• RIDADR: UN 2829 8/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 55320-65-5(Hazardous Substances Data)

Usage

Uses

Hexanoic-2,2-d2 Acid (CAS# 55320-65-5) is a useful isotopically labeled research compound.

Upstream product

• 35658-10-7 [1,1-²H₂]-1-pentanol 
• 142-62-1 hexanoic acid 
• 133-08-4 diethyl butylmalonate 
• 124-38-9 carbon dioxide 
• 77734-75-9 [1,1-²H₂]-1-bromopentane 
• 109-52-4 valeric acid 

Downstream Products

• 627-93-0 hexanedioic acid dimethyl ester 
• 554-12-1 propanoic acid methyl ester 
• 86412-20-6 methyl <4,4-(2)H2>octanoate 

Relevant articles and documents

Harnessing ynamide activation to access deuterated carbonyls

A simple and convenient synthesis of α-bisdeuterated imides is reported, hinging on the transient formation of keteniminium ions by treatment of ynamides with TfOD, followed by trapping with D2O. The products are obtained in good yields and with a high degree of deuterium incorporation. Gram-scale reaction and further derivatization without deuterium erosion highlight the synthetic utility of this method for the formation of a wide range of isotopically labelled compounds.

CENTER OF MASS DISPLACEMENT AND RELAXATION TIMES OF LINEAR ALKYNES

The carbon-13 chemical shifts and relaxation times of various linear alkynes have been measured.Complexation of these compounds with dicobalt octacarbonyl induces changes in δ's and T1's.Unambiguous assignments were obtained from deuterium labelled octynes.The T1 variations result from the displacement of the center of mass of the aliphatic chain.They are systematic and can thus be used for assignment purposes.

The Synthesis of Specifically and Selectively Deuteriated 4,4'-Bisalkoxyazoxybenzene Derivatives

In connection with deuterium n.m.r. studies of molecular motion in liquid crystals we have developed a number of methods for the synthesis of selectively deuteriated 4,4'-bisalkoxyazoxybenzenes.This paper is concerned with (i) the labelling of specific methylene segments of the alkoxy-chains, (ii) the labelling of the aromatic nucleus, and (iii) the selective enrichment of the deuterium content of one alkoxy-chain relative to the other.Our studies of the n.m.r. spectra of these liquid crystals have shown that there is not (as has sometimes been supposed) a monotonic decrease in C-D quadrupole splitting in passing from the oxygen to the CD3 end of the alkoxy-chain.In -PAA (p-azoxyanisole) we have also shown that the smaller splitting is associated with the CD3O group nearest to the NO end of azoxy-group.Whereas the photorearrangement of azoxy-compounds is normally regiospecific, the photorearrangement of PAA selectively deuteriated in one methoxy-group is unusual in that it leads to isotopically scrambled products.