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ACETONE-D6

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ACETONE-D6 Basic information

Product Name:
ACETONE-D6
Synonyms:
  • Acetone-d6 + TMS (99:1 v/v), deuteration degree min. 99,8%, NMR spectroscopy grade, Spectrosol
  • Acetone-D6(D99.8%)+TMS(0.03%)
  • Acetone-d6, packaged in 0.75ml ampoules, 100.0 atom % D, for NMR
  • Acetone-d6, packaged in 0.75 ml ampoules, 99.5 atom % D, for NMR
  • Acetone-d6, 99.8 atom % D, AcroSeal, for NMR
  • ACETONE-D6 DEUTERATION DEGREE MIN. 99.95
  • ACETONE-D6, 99.9 ATOM % D (CONTAINS 1% &
  • ACETONE-D6, "100.0" (MIN. 99.96 ATOM % D)(1pkg=10X1,0ml)
CAS:
666-52-4
MF:
C3D6O
MW:
64.12
EINECS:
211-563-9
Product Categories:
  • Acetone-d6
  • A
  • Acetone
  • Aldrich High Purity NMR Solvents for Routine NMR
  • Alphabetical Listings
  • High Throughput NMR
  • Labware
  • NMR
  • NMR Solvents
  • NMR Solvents and Reagents
  • Routine NMR
  • Solvent by Application
  • Solvent by Type
  • Solvents
  • Solvents for High Throughput NMR
  • Spectroscopy Solvents (IR
  • Stable Isotopes
  • Tubes and Accessories
  • UV/Vis)
  • Aldrich 100% NMR Solvents for High Resolution
  • High Resolution NMR
  • Deuterated Compounds for NMR
  • NMR Spectrometry
  • Analytical Chemistry
Mol File:
666-52-4.mol
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ACETONE-D6 Chemical Properties

Melting point:
−93.8 °C(lit.)
Melting point:
-94°C
Boiling point:
56,5°C
Boiling point:
55.5 °C(lit.)
Density 
0.872 g/mL at 25 °C(lit.)
Density 
d = 0,87
vapor density 
2 (vs air)
vapor pressure 
14.39 psi ( 55 °C)
refractive index 
n20/D 1.355(lit.)
Flash point:
1 °F
storage temp. 
Store below +30°C.
form 
Liquid In Prescored Ampoules, (0.75Ml/ampoule)
Specific Gravity
0.872
color 
Colorless
PH
5-6 (365g/l, H2O)
explosive limit
2.6-12.8%(V)
Water Solubility 
Soluble in water.
BRN 
1702935
Stability:
Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flashpoint and wide explosion limits. Incompatible with bases, oxidising agents, strong acids, reducing agents. Protect from moisture.
InChI
1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
InChIKey
CSCPPACGZOOCGX-WFGJKAKNSA-N
SMILES
[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
CAS DataBase Reference
666-52-4(CAS DataBase Reference)
EPA Substance Registry System
Acetone-d6 (666-52-4)
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Safety Information

Hazard Codes 
F,Xi
Risk Statements 
11-36-66-67
Safety Statements 
9-16-26-33-23
RIDADR 
UN 1090 3/PG 2
WGK Germany 
3
10-21
Autoignition Temperature
465 °C DIN 51794
HS Code 
2845 90 10
HazardClass 
3
PackingGroup 
II
Storage Class
3 - Flammable liquids
Hazard Classifications
Eye Irrit. 2
Flam. Liq. 2
STOT SE 3
Toxicity
LD50 orally in Rabbit: 5800 mg/kg LD50 dermal Rabbit 20000 mg/kg

MSDS

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ACETONE-D6 Usage And Synthesis

Chemical Properties

colourless liquid

Uses

Acetone-d6 may be used as an internal standard to detect aldehydes and acetone in water by headspace-solid-phase microextraction and gas chromatography-mass spectrometry.

Uses

Acetone-d6 may be used as a deuterated solvent in the 1H NMR spectral studies of iodine containing radiopaque poly(methacrylate)copolymers. It may also be used as a source of deuterium atoms in the synthesis of labelled sterols.

Uses

Isotope labelled Acetone is a common organic building block in organic chemistry.

Definition

ChEBI: A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium.

General Description

Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.

ACETONE-D6Supplier

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