1006-03-7

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1006-03-7 Structure

Identification	Back Directory
[Name] CYCLOHEXANONE-2,2,6,6-D4
[CAS] 1006-03-7
[Synonyms] Cyclohexanone--d4 CYCLOHEXANONE-2,2,6,6-D4 Cyclohexanone-2,2,6,6-d4 98 atom % D
[Molecular Formula] C6H6D4O
[MDL Number] MFCD00144022
[MOL File] 1006-03-7.mol
[Molecular Weight] 102.17

Chemical Properties	Back Directory
[Melting point ] -47 °C (lit.)
[Boiling point ] 153 °C (lit.)
[density ] 0.986 g/mL at 25 °C
[refractive index ] n20/D 1.449(lit.)
[Fp ] 116 °F
[storage temp. ] Storage temp. 2-8°C
[Appearance] Colorless to light yellow Liquid
[InChI] 1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2/i4D2,5D2
[InChIKey] JHIVVAPYMSGYDF-CQOLUAMGSA-N
[SMILES] [2H]C1([2H])CCCC([2H])([2H])C1=O
[CAS Number Unlabeled] 108-94-1

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] 10-20
[Safety Statements ] 23-25
[RIDADR ] UN 1915 3/PG 3
[WGK Germany ] 3
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3

Hazard Information	Back Directory
[Uses] CYCLOHEXANONE-2,2,6,6-D4 is used as an internal standard for the quantification of Cyclohexanone by GC- or LC-mass spectrometry.

Spectrum Detail	Back Directory
[Spectrum Detail] CYCLOHEXANONE-2,2,6,6-D4(1006-03-7)¹HNMR CYCLOHEXANONE-2,2,6,6-D4(1006-03-7)IR CYCLOHEXANONE-2,2,6,6-D4(1006-03-7)FT-IR

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