ACETONE-D6 Structure

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  d = 0,87
Density  0.872 g/mL at 25 °C(lit.)
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)
color  Colorless
Specific Gravity 0.872
PH 5-6 (365g/l, H2O)
Solvent Residual Peak 1H NMR:2.05 ppm (quint)
13C NMR:206.26±0.13 ppm(C=O, s), 29.84±0.01 ppm (CH₃, sept)
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)
FDA UNII B0N19B53H8
EPA Substance Registry System Acetone-d6 (666-52-4)
UNSPSC Code 12190000
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H225-H319-H336
Precautionary statements P210-P233-P240-P241-P242-P305+P351+P338
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
F  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
NFPA 704:
3
1 0

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