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ACETONE-D6 Structure

ACETONE-D6

  • Product NameACETONE-D6
  • CAS666-52-4
  • CBNumberCB7693142
  • MFC3D6O
  • MW64.12
  • EINECS211-563-9
  • MDL NumberMFCD00044635
  • MOL File666-52-4.mol

Chemical Properties

Melting point: -94°C
Melting point: −94 °C (−137 °F; 179 K)
Boiling point: 56 °C (133 °F; 329 K)
Boiling point: 56,5°C
Density  d = 0,87
Density  0.872 g cm−3
vapor density  2 (vs air)
vapor pressure  14.39 psi ( 55 °C)
refractive index  1.36
Flash point: −19 °C (−2 °F; 254 K)
storage temp.  Store below +30°C.
form  clear liquid
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)
Odor Peculiar odor
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)

Safety

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H319-H336
Precautionary statements  P210-P233-P240-P241-P242-P305+P351+P338
target organs Central nervous system
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  2845900010
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
Limited Quantities 1.0 L (0.3 gallon) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
NFPA 704:
3
1 0

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ACETONE-D6 Chemical Properties,Usage,Production

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