(2,2,6,6-2H4)Cyclohexanone

Modify Date: 2025-08-27 09:29:38

(2,2,6,6-2H4)Cyclohexanone Structure
(2,2,6,6-2H4)Cyclohexanone structure
Common Name (2,2,6,6-2H4)Cyclohexanone
CAS Number 1006-03-7 Molecular Weight 102.168
Density 1.0±0.1 g/cm3 Boiling Point 155.7±0.0 °C at 760 mmHg
Molecular Formula C6H6D4O Melting Point -47ºC(lit.)
MSDS Chinese USA Flash Point 46.7±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name 2,2,6,6-tetradeuteriocyclohexan-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 155.7±0.0 °C at 760 mmHg
Melting Point -47ºC(lit.)
Molecular Formula C6H6D4O
Molecular Weight 102.168
Flash Point 46.7±0.0 °C
Exact Mass 102.098274
PSA 17.07000
LogP 0.76
Vapour Pressure 3.0±0.3 mmHg at 25°C
Index of Refraction 1.453
InChIKey JHIVVAPYMSGYDF-CQOLUAMGSA-N
SMILES O=C1CCCCC1
Storage condition 2-8°C

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H332
Hazard Codes Xn: Harmful;
Risk Phrases 10-20
Safety Phrases 23
RIDADR UN 1915 3/PG 3

 Synthetic Route

~92%

(2,2,6,6-2H4)Cyclohexanone Structure

(2,2,6,6-2H4)Cy...

CAS#:1006-03-7

Literature: Pellicciari, Roberto; Natalini, Benedetto; Sadeghpour, Bahman M.; Marinozzi, Maura; Snyder, James P.; Williamson, Bobby L.; Kuethe, Jeffrey T.; Padwa, Albert Journal of the American Chemical Society, 1996 , vol. 118, # 1 p. 1 - 12

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(2,2,6,6-2H4)Cyclohexanone Structure

(2,2,6,6-2H4)Cy...

CAS#:1006-03-7

Literature: Grishina, G. V.; Leshcheva, I. F.; Sergeev, N. M.; Potapov, V. M.; Vovk, A. I. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1982 , vol. 18, # 6 p. 589 - 593 Khimiya Geterotsiklicheskikh Soedinenii, 1982 , vol. 18, # 6 p. 780 - 784

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

2,2,6,6-cyclohexanone-d4
2,2,6,6-tetradeuterated cyclohexanone
(2,2,6,6-H)Cyclohexanone
MFCD00144022
2,2,6,6-Tetradeuterocyclohexanone
Cyclohexanone-2,2,6,6-d4
Cyclohexanone-2,2,6,6-d
2,2,6,6-tetradeuteriocyclohexanone
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