2-BUTANONE-1,1,1,3,3-D5 Structure

2-BUTANONE-1,1,1,3,3-D5

Chemical Properties

Melting point −87 °C(lit.)
Boiling point 80 °C(lit.)
Density  0.860 g/mL at 25 °C
refractive index  n20/D 1.379(lit.)
Flash point 26 °F
Henry's Law Constant 3.7×10-1 mol/(m3Pa) at 25℃, Hiatt (2013)
InChI 1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3/i2D3,3D2
InChIKey ZWEHNKRNPOVVGH-PDWRLMEDSA-N
SMILES [2H]C([2H])([2H])C(=O)C([2H])([2H])C
EPA Substance Registry System 2-Butanone-1,1,1,3,3-d5 (24313-50-6)
UNSPSC Code 12352138
NACRES NA.12
CAS Number Unlabeled 78-93-3

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictograms
Signal wordDanger
Hazard statements H225-H319-H336
Precautionary statements P210-P305+P351+P338
Hazard Codes  F,Xi
Risk Statements  11-36-66-67
Safety Statements  9-16
RIDADR  UN 1193 3/PG 2
WGK Germany  3
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 2
STOT SE 3

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