ChemicalBook--->CAS DataBase List--->1006-03-7

1006-03-7

1006-03-7 Structure

1006-03-7 Structure
IdentificationBack 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 PropertiesBack 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 DataBack 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 InformationBack 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 DetailBack 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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