Naar de inhoud springen Naar het navigatiemenu springen

product.details.print
6672_AE56

Acetone D6, 50 ml, glass, 50 ml
99,8 Atom%D
Icon_EVE-EUD Please consider that this product might be liable to some legal sanctions as for example to obtain an end user declaration or the prohibition of some applications. For details please do contact your counterpart in our sales department!
Mogelijke gevolgen: zijn ontvlambaar; vloeistoffen vormen met lucht explosieve mengsels; zorgen met water voor ontvlambare gassen of zijn zelfontvlambaar. Veiligheid: uit de buurt van open vuur en warmtebronnen houden; vaten dicht afsluiten; brandveilig bewaren.
Mogelijke gevolgen: leiden tot schade aan de gezondheid, irriteren organen, huid of luchtwegen. Leiden in grotere hoeveelheden tot de dood. Veiligheid: zoals hierboven; bij huidirritaties of oogcontact met water of geschikt middel spoelen.
Danger
H225-H319-H336-EUH066
i highly flammable liquid and vapour, causes serious eye irritation, may cause drowsiness or dizziness
P210 P305+P351+P338 P403+P233
i keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking, IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing, store in a well-ventilated place. Keep container tightly closed
Verwante producten
VE
Verp.
Verpakking
Hexadeuteroacetone
Empirical formula C3D6O
Molar mass (M) 63,13 g/mol
Density (D) 0,88 g/cm³
Boiling point (bp) 56,2 °C
Flash point (flp) -17 °C
Melting point (mp) -95,4 °C
ADR 3 II
WGK 1
CAS No. 666-52-4
EG-Nr. 211-563-9
UN-Nr. 1090

Packaging for AE51.3: 10 x 0,75 ml in ampoules
For nuclear magnetic resonance spectroscopy.

317,15 €/VE 

Excl. btw | 50 ml Per VE

Bestelnr. AE51.2

Op voorraad
Vrij van verzendingskosten vanaf 250 €
Snelle en betrouwbare levering!
Vanaf 6 VE 301,29 €/VE
Vanaf 24 VE 285,44 €/VE

Geschikt voor / Toebehoren

EP54-1
NMR-buisjes Economic
Bestelnr. EP54.1
657,00 €  /  250  stuks 
HX58
NMR-buisjes ROTILABO®
Bestelnr. HX58.1
108,70 €  /  50  stuks 
EP55-1
NMR-buisjes Scientific
Bestelnr. EP55.1
90,45 €  /  5  stuks 
Acetone D6
Geselecteerde hoeveelheid:   0
  1. Tussentotaal:  0.00
Bestelnr. VE Verp. Verpakking Prijs Hoeveelheid
AE51.1 10 ml glass 10 ml

82,70 €

AE51.2 50 ml glass 50 ml

317,15 €

AE51.3 7,5 ml glass ampoule 10 x 0,75 ml in ampoules

84,85 €

AE51.4 10 ml septum bottle 10 ml

83,75 €

AE51.5 25 ml glass 25 ml

181,70 €

Op voorraad
Beschikbaar
In bestelling
Niet meer verkrijgbaar
Leveringsdatum onbekend
Geselecteerde hoeveelheid:   0
  1. Tussentotaal:  0.00

Downloads / MSDS

Specificatie / Duits
Specificatie / Engels
Specificatie / Frans
Veiligheidsinformatieblad
Bulgarije / Bulgaars
Veiligheidsinformatieblad
Tsjechië / Tsjechisch
Veiligheidsinformatieblad
Denemarken / Danish
Veiligheidsinformatieblad
Oostenrijk / Duits
Veiligheidsinformatieblad
België / Duits
Veiligheidsinformatieblad
Zwitserland / Duits
Veiligheidsinformatieblad
Duitsland / Duits
Veiligheidsinformatieblad
Cyprus / Grieks
Veiligheidsinformatieblad
Griekenland / Grieks
Veiligheidsinformatieblad
Australië / Engels
Veiligheidsinformatieblad
Verenigd Koninkrijk / Engels
Veiligheidsinformatieblad
Ierland / Engels
Veiligheidsinformatieblad
Malta / Engels
Veiligheidsinformatieblad
Spanje / Spaans
Veiligheidsinformatieblad
Estland / Estisch
Veiligheidsinformatieblad
Finland / Fins
Veiligheidsinformatieblad
België / Frans
Veiligheidsinformatieblad
Zwitserland / Frans
Veiligheidsinformatieblad
Frankrijk / Frans
Veiligheidsinformatieblad
Luxemburg / Frans
Veiligheidsinformatieblad
Kroatië / Kroatisch
Veiligheidsinformatieblad
Hongarije / Hongaars
Veiligheidsinformatieblad
Zwitserland / Italiaans
Veiligheidsinformatieblad
Italië / Italiaans
Veiligheidsinformatieblad
Litouwen / Litouws
Veiligheidsinformatieblad
Letland / Lets
Veiligheidsinformatieblad
België / Nederlands
Veiligheidsinformatieblad
Nederland / Nederlands
Veiligheidsinformatieblad
Noorwegen / Noors
Veiligheidsinformatieblad
Polen / Pools
Veiligheidsinformatieblad
Portugal / Portugees
Veiligheidsinformatieblad
Roemenië / Roemeens
Veiligheidsinformatieblad
Rusland / Russisch
Veiligheidsinformatieblad
Slowakije / Slowaaks
Veiligheidsinformatieblad
Slovenië / Sloveens
Veiligheidsinformatieblad
Servië / Servisch
Veiligheidsinformatieblad
Zweden / Zweeds

Algemene informatie

NMR Spectroscopy

Deuterated compounds are mainly used in NMR spectroscopy to characterise organic structures. This has the advantage of virtually eliminating solvent signals. In addition, acidic protons can be exchanged for deuterium to make it easier to assign the signals.

Toepassingsvoorbeelden:

  • Routine tasks such as structure determination and identity verification in research and development laboratories
  • Elucidation of reaction mechanisms and metabolisms
  • For GC-MS or LC-MS as internal standards
Eigenschappen:
  • High degree of deuteration
  • High purity of the starting compound
  • Defined water content
  • Filled under protective gas (nitrogen), except for compounds containing TMS


NMR Chemical Shifts of Common Solvents as Trace Impurities

These tables present the NMR shifts of commonly used solvents and impurities in organic synthesis and workup protocols measured in the 7 most frequently used deuterated solvents.

To simplify the identification of these solvents in NMR spectra and facilitate their adoption into chemical processes, we have compiled 1H and 13C NMR data for common laboratory solvents.


1H NMR Chemical Impurity Shifts Table

 Proton Mult. CDCl3 (CD3)2CO (CD3)2SO C6D6 CD3CN CD3OD D2O
Solvent residual peak

7.26 2.05 2.50 7.16 1.94 3.31 4.79
H2O

s 1.56 2.84 3.33 0.40 2.13 4.87

Acetic acid CH3 s 2.10 1.96 1.91 1.55 1.96 1.99 2.08
Acetone CH3 s 2.17 2.09 2.09 1.55 2.08 2.15 2.22
Acetonitrile CH3 s 2.10 2.05 2.07 1,55 1.96 2.03 2.06
Benzene CH s 7.36 7.36 7.36 7.15 7.37 7.33

Benzyl alcohol CH
CH
CH2
OH		 m
m
d, 5.9
t, 5.9		 7.28-7.38
7.28-7.38
4.71
1.64		 7.29-7.37
7.20-7.25
4.63
4.16		 7.28-7.36
7.20-7.25
4.49
5.16

7.30-7.37
7.23-7.29
4.57
3.14		 7.30-7.36
7.22-7.26
4.59, s
 7.37-7.47
7.37-7.47
4.65, s
tert-Butanol CH3
OH		 s
s		 1.27
 1.18
3.22		 1.11
4.18		 1.05
1.55		 1.17
2.39		 1.22
 1.25
2-Butanone (MEK) CH3CO
CH2
CH2CH3		 s
q, 7
t, 7		 2.14
2.46
1.06		 2.07
2.45
0.96		 2.07
2.43
0.91		 1.58
1.81
0.85		 2.06
2.43
0.96		 2.12
2.50
1.01		 2.19
3.18
1.26
tert-Butyl methyl ether
(MTBE)		 CCH3
OCH3		 s
s		 1.19
3.22		 1.13
3.13		 1.11
3.08		 1.07
3.04		 1.14
3.13		 1.15
3.20		 1.21
3.22
Chlorobenzene CH m 7.22-7.36 7.31-7.42 7.32-7.45

7.29-7.41 7.25-7.37 7.33-7.46
Chloroform CH s 7.26 8.02 8.32 6.15 7.58 7.90

Cyclohexane CH2 s 1.43 1.43 1.40 1.40 1.44 1.45

Cyclopentyl methyl ether
(CPME)		 CH
OCH3
CH2		 m
s
m		 3.78-3.82
3.28
1.50-1.74		 3.73-3.77
3.19
1.44-1.72		 3.71-3.76
3.15
1.42-1.67

3.74-3.78
3.19
1.48-1.70		 3.80-3.85
3.26
1.50-1.77		 3.94-3.99
3.30
1.51-1.86
1,2-Dichloroethane CH2 s 3.73 3.87 3.90 2.90 3.81 3.78

Dichloromethane CH2 s 5.30 5.63 5.76 4.27 5.44 5.49

Diethyl ether CH3
CH2		 t, 7
q, 7		 1.21
3.48		 1.11
3.41		 1.09
3.38		 1.11
3.26		 1.12
3.42		 1.18
3.49		 1.17
3.56
1,2-Dimethoxyethane CH3
CH2		 s
s		 3.40
3.55		 3.28
3.46		 3.24
3.43		 3.12
3.33		 3.28
3.45		 3.35
3.52		 3.37
3.60
Dimethylacetamide CH3CO
NCH3
NCH3		 s
s
s		 2.09
3.02
2.94		 1.97
3.00
2.83		 1.96
2.94
2.78		 1.60
2.54
2.05		 1.97
2.96
2.83		 2.07
3.30
2.92		 2.08
3.06
2.90
Dimethylformamide CH
CH3
CH3		 s
s
s		 8.02
2.96
2.88		 7.96
2.94
2.78		 7.95
2.89
2.73		 7.63
2.36
1.86		 7.92
2.89
2.77		 7.97
2.99
2.86		 7.92
3.01
2.85
Dimethyl sulfoxide CH3 s 2.62 2.52 2.54 1.68 2.50 2.65 2.71
Dioxane CH2 s 3.71 3.59 3.57 3.35 3.60 3.66 3.75
Ethanol CH3
CH2
OH		 t, 7
q, 7
s		 1.25
3.72
1.32		 1.12
3.57
3.39		 1.06
3.44
4.63		 0.96
3.34
 1.12
3.54
2.47		 1.19
3.60
 1.17
3.65
Ethyl acetate CH3CO
CH2CH3
CH2CH3		 s
q, 7
t, 7		 2.05
4.12
1.26		 1.97
4.05
1.20		 1.99
4.03
1.17		 1.65
3.89
0.92		 1.97
4.06
1.20		 2.01
4.09
1.24		 2.07
4.14
1.24
Ethylene glycol CH s 3.67 3.28 3.34 3.41 3.51 3.59 3.65
“Grease” CH3
CH2		 m
brs		 0.86
1.26		 0.87
1.29

0.92
1.36		 0.86
1.27		 0.88
1.29

n-Hexane CH3
CH2		 t
m		 0.88
1.26		 0.88
1.28		 0.86
1.25		 0.89
1.24		 0.89
1.28		 0.90
1.29

Methanol CH3
OH		 s
s		 3.49
1.09		 3.31
3.12		 3.16
4.01		 3.07
 3.28
2.16		 3.34
 3.34
Nitromethane CH3 s 4.33 4.43 4.42 2.94 4.31 4.34 4.40
n-Pentane CH3
CH2		 t, 7
m		 0.88
1.27		 0.88
1.27		 0.86
1.27		 0.87
1.23		 0.89
1.29		 0.90
1.29

2-Propanol CH
CH3
OH		 septd, 6.1, 4.3
d, 6.1
d, 4.3		 4.03, sept (6.1)
1.21		 3.84-3.95, m
1.10
3.39		 3.77
1.04
4.34

3-89
1.09
2.51		 3.92, sept (6.1)
1.15
 4.02, sept (6.2)
1.18
Pyridine CH (2)
CH (3)
CH (4)		 m
m
m		 8.62
7.29
7.68		 8.58
7.35
7.76		 8.58
7.39
7.79		 8.53
6.66
6.98		 8.57
7.33
7.73		 8.53
7.44
7.85		 8.52
7.45
7.87
Silicone grease CH3 s 0.07 0.13

0.29 0.08 0.10

Tetrahydrofuran CH2
CH2O		 m
m		 1.85
3.76		 1.79
3.63		 1.76
3.60		 1.40
3.57		 1.80
3.64		 1.87
3.71		 1.88
3.74
Toluene CH3
CH (o/p)
CH (m)		 s
m
m		 2.36
7.17
7.25		 2.32
7.1-7.2
7.1-7.2		 2.30
7.18
7.25		 2.11
7.02
7.13		 2.33
7.1-7.3
7.1-7.3		 2.32
7.16
7.16

Triethylamine CH3
CH2		 t, 7
q, 7		 1.03
2.53		 0.96
2.45		 0.93
2.43		 0.96
2.40		 0.96
2.45		 1.05
2.58		 0.99
2.57
Xylenes

o-Xylene CH
CH3		 m
s		 7.08-7.14
2.26		 7.03-7.12
2.23		 7.04-7.14
2.21

7.05-7.15
2.25		 7.01-7.10
2.24

m-Xylene CH (5)
CH (2,4,6)
CH3		 t, 7.5
m
s		 7.15
6.96-7.00
2.32		 7.15
6.94-6.99
2.27		 7.13
6.95-6.99
2.26

7.13
6.96-7.01
2.28		 7.08
6.92-6.97
2.27		 7.24
7.07-7.14
2.31
p-Xylene CH
CH3		 s
s		 7.06
2.31		 7.05
2.26		 7.05
2.24

7.06
2.27		 7.02
2.26		 7.18
2.30

13C NMR Chemical Impurity Shifts Table

 Carbon CDCl3 (CD3)2CO (CD3)2SO C6D6 CD3CN CD3OD D2O
Solvent residual peak

77.16 ±0.06 29.84 ±0.01
206.26 ±0.13		 39.52 ±0.06 128.06 ±0.02 1.32 ±0.02
118.26 ±0.02		 49.00 ±0.01

Acetic acid CO
CH3		 175.99
20.81		 172.31
20.51		 171.93
20.95		 175.82
20.37		 173.21
20.73		 175.11
20.56		 177.21
21.03
Acetone CO
CH3		 207.07
30.92		 205.87
30.60		 206.31
30.56		 204.43
30.14		 207.43
30.91		 209.67
30.67		 215.94
30.89
Acetonitrile CN
CH3		 116.43
1.89		 117.60
1.12		 117.91
1.03		 116.20
0.20		 118.26
1.79		 118.06
0.85		 119.68
1.47
Benzene CH 128.37 129.15 128.30 128.62 129.32 129.34

Benzyl alcohol C (1)
CH (3,5)
CH (4)
CH (2,6)
CH2		 140.98
128.54
127.61
126.98
65.31		 143.52
128.92
127.55
127.35
64.68		 142.44
127.92
126.50
126.31
62.82

143.17
129.26
127.97
127.69
64.76		 142.74
129.37
128.28
128.01
65.28		 140.84
129.34
128.43
128.06
64.51
tert-Butanol C
CH3		 69.15
313.25		 68.13
30.72		 66.88
30.88		 68.19
30.47		 68.74
30.68		 69.40
30.91		 70.36
30.29
2-Butanone (MEK) CH3CO
CO
CH2
CH2CH3		 29.49
209.56
36.89
7.86		 29.30
208.30
36.75
8.03		 29.26
208.70
35.83
7.61		 28.56
206.55
36.36
7.91		 29.60
209.88
37.09
8.14		 29.39
212.16
37.34
8.09		 29.49
218.43
37.27
7.87
tert-Butyl methyl ether
(MTBE)		 OCH3
C
CCH3		 49.45
72.87
26.99		 49.35
72.81
27.24		 48.70
72.04
26.79		 49.19
72.40
27.09		 49.52
73.17
27.28		 49.66
74.32
27.22		 49.37
75.62
26.60
Chlorobenzene C (1)
CH (3,5)
CH (2,6)
CH (4)		 134.29
129.71
128.62
126.43		 134.63
130.94
129.30
127.65		 133.00
130.20
128.30
126.92

134.74
131.10
129.45
127.83		 135.31
131.00
129.56
127.73

Chloroform CH 77.36 79.19 79.16 77.79 79.17 79.44

Cyclohexane CH2 26.94 27.51 26.33 27.23 27.63 27.96

Cyclopentyl methyl ether
(CPME) 		CH
CH3
CH2 (2,5)
CH2 (3,4)		 83.03
54.30
31.97
23.55		 83.35
56.18
32.51
24.14		 81.92
55.47
31.35
23.05

83.62
56.38
32.63
24.28		 84.47
56.55
32.85
24.45		 84.40
56.04
31.87
23.61
1,2-Dichloroethane CH2 43.50 45.25 45.02 43.59 45.54 45.11

Dichloromethane CH2 53.52 54.95 54.84 53.46 55.32 54.78

Diethyl ether CH3
CH2		 15.20
65.91		 15.75
66.12		 15.12
62.05		 15.46
65.94		 15.63
66.32		 15.46
66.88		 14.77
66.42
1,2-Dimethoxyethane CH3
CH2		 59.08
71.84		 58.45
72.47		 58.01
17.07		 58.68
72.21		 58.89
72.47		 59.06
72.72		 58.67
71.49
Dimethylacetamide CH3
CO
NCH3
NCH3		 21.53
171.07
35.28
38.13		 21.51
170.61
34.89
37.92		 21.29
169.54
37.38
34.42		 21.16
169.95
34.67
37.03		 21.76
171.31
35.17
38.26		 21.32
173.32
35.50
38.43		 21.09
174.57
35.03
38.76
Dimethylformamide C
CH3
CH3		 162.62
36.50
31.45		 162.79
36.15
31.03		 162.29
35.73
30.73		 162.13
35.25
30.72		 163.31
36.57
31.32		 164.73
36.89
31.61		 165.53
37.54
32.03
Dimethyl sulfoxide CH3 40.76 41.23 40.45 40.03 41.31 40.45 39.39
Dioxane CH2 67.14 67.60 66.36 67.16 67.72 68.11 67.19
Ethanol CH3
CH2		 18.41
58.28		 18.89
57.72		 18.51
56.07		 18.72
57.86		 18.80
57.96		 18.40
58.26		 17.47
58.05
Ethyl acetate CH3CO
CO
CH2
CH2		 21.04
171.36
60.49
14.19		 20.83
170.96
60.56
14.50		 20.68
170.31
59.74
14.40		 20.56
170.44
60.21
14.19		 21.16
171.68
60.98
14.54		 20.88
172.89
61.50
14.49		 21.15
175.26
62.32
13.92
Ethylene glycol CH2 63.79 64.26 62.76 64.34 64.22 64.30 63.17
“Grease” CH2 29.76 30.73 29.20 30.21 30.86 31.29

n-Hexane CH3
CH2 (2)
CH2 (3)		 14.14
22.70
31.64		 14.34
23.28
32.30		 13.88
22.05
30.95		 14.32
23.04
31.96		 14.43
23.40
32.36		 14.45
23.68
32.73

Methanol CH3 50.41 49.77 48.59 49.97 49.90 49.86 49.50
Nitromethane CH3 62.50 53.21 63.28 61.16 63.66 63.08 63.22
n-Pentane CH3
CH2 (2)
CH2 (3)		 14.08
22.38
34.16		 14.29
22.98
34.83		 13.28
21.70
33.48		 14.25
22.81
34.45		 14.37
23.08
34.89		 14.39
23.38
35.30

2-Propanol CH3
CH		 25.14
64.50		 25.67
63.85		 25.43
64.92		 25.18
64.23		 25.55
64.30		 25.27
64.71		 24.38
64.88
Pyridine CH (2)
CH (3)
CH (4)		 149.90
123.75
135.96		 150.67
124.57
136.56		 149.58
123.84
136.05		 150.27
123.58
123.28		 150.76
127.76
136.89		 150.07
125.53
138.35		 149.18
125.12
138.27
Silicone grease CH3 1.04 1.40

1.38

2.10

Tetrahydrofuran CH2
CH2O		 25.62
67.97		 26.15
68.07		 25.14
67.03		 25.72
67.80		 26.27
68.33		 26.48
68.83		 25.67
68.68
Toluene CH3
CH (i)
CH (o)
CH (m)
CH (p)		 21.46
137.89
129.07
128.26
125.33		 21.46
138.48
129.76
129.03
126.12		 20.99
137.35
128.88
128.18
125.29		 21.10
137.91
129.33
128.56
125.68		 21.50
138.90
129.94
129.23
126.28		 21.50
138.85
129.91
129.20
126.29

Triethylamine CH3
CH2		 11.61
46.25		 12.49
47.07		 11.74
45.74		 12.35
46.77		 12.38
47.10		 11.09
46.96		 9.07
47.19
Xylenes

o-Xylene C (1,2)
CH (3,6)
CH (4,5)
CH3		 136.49
129.59
125.79
19.71		 137.03
130.28
126.58
19.68		 135.91
129.29
125.61
19.24

137.51
130.46
126.78
19.79		 137.37
130.47
126.81
19.77

m-Xylene C (1,3)
CH (2)
CH (5)
CH (4,6)
CH3		 137.78
129.91
128.15
126.04
21.33		 138.34
130.52
128.93
126.78
21.32		 137.07
129.51
127.98
125.83
20.83

138.80
130.71
129.16
126.95
21.40		 138.79
130.70
129.13
126.99
21.42

p-Xylene C (1,4)
CH (2,3,5,6)
CH3		 134.67
128.92
20.94		 135.27
129.65
20.94		 134.03
128.69
20.49

135.68
129.85
21.00		 135.71
129.84
21.02


References

1. Gottlieb, H. E.; Kotlyar, V.; Nudelman, A.; J.Org.Chem., 1997, 62, 7512.2. Babij, N. R.; McCusker, E. O.; Whiteker, G. T.; Canturk, B.; Choy, N.; Creemer, L. C.; Amicis, C. V. D.; Hewlett, N. M.; Johnson, P. L.; Knobelsdorf, J. A.; Li, F.; Lorsbach, B. A.; Nugent, B. M.; Ryan, S. J.; Smith, M. R.; Yang, Q. Org. Process Res. Dev. 2016, 20, 661– 667.Please note that the values given in the tables are temperature- and partly concentration-dependent and therefore represent average values only.


Analysecertificaten

Hier kunt u uw analysecertificaat voor het geselecteerde product zoeken en downloaden. Geef een chargenummer op.
De volgende analysecertificaten werden gevonden:

Guarantee analysis

Deuterising degree≥99,8 %
Water (KF, H2O+D2O)≤0,03 %
Assay (GC)≥99.0 %