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InChI
1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2
SMILES string
[2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI key
WYURNTSHIVDZCO-SVYQBANQSA-N
isotopic purity
≥99.5 atom % D
assay
≥99% (CP)
form
liquid
Quality Level
technique(s)
NMR: suitable
impurities
≤0.03% water
water
refractive index
n20/D 1.403 (lit.)
bp
65-66 °C (lit.)
mp
−106 °C (lit.)
density
0.985 g/mL at 25 °C (lit.)
mass shift
M+8
storage temp.
2-8°C
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General description
Other Notes
signalword
Danger
Hazard Classifications
Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Respiratory system
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
1.4 °F - closed cup
flash_point_c
-17 °C - closed cup
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Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.
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NMR spectroscopy elucidates molecular structure and purity via nuclear spin states in a strong magnetic field.
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