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CYCLOHEXANONE-2,2,6,6-D4

CYCLOHEXANONE-2,2,6,6-D4 structure

CAS No:
1006-03-7
Formula:
C6H6D4O
Chemical Name:
CYCLOHEXANONE-2,2,6,6-D4
Synonyms:
Cyclohexanone-2,2,6,6-d4;SCHEMBL1332104;CTK8F8854;DTXSID20514639;2,2,6,6-tetradeuterocyclohexanone;AKOS015912833;2,2,6,6-tetradeuteriocyclohexan-1-one;(2,2,6,6-~2~H_4_)Cyclohexanone;Cyclohexanone-2,2,6,6-d4, 98 atom % D;J-000177

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CYCLOHEXANONE-2,2,6,6-D4 Basic Attributes

Molecular Weight：

102.169

Exact Mass：

102.098274

DSSTox ID：

DTXSID20514639

Characteristics

PSA：

17.1

XLogP3：

0.76

Density：

0.986 g/mL at 25 °C

Melting Point：

-47 °C(lit.)

Boiling Point：

153 °C(lit.)

Flash Point：

116 °F

Refractive Index：

n 20/D 1.449(lit.)

Safety Information

Transport codes：

UN 1915 3/PG 3

wgk germany：

hazard class code：

10-20

safety instructions：

23-25

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, P501

Hazard Statements：

H226-H332

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

CYCLOHEXANONE-2,2,6,6-D4 Use and Manufacturing

CYCLOHEXANONE-2,2,6,6-D4 is used as an internal standard for the quantification of Cyclohexanone by GC- or LC-mass spectrometry.

Computed Properties

Molecular Weight:102.17
XLogP3:0.8
Hydrogen Bond Acceptor Count:1
Exact Mass:102.098271922
Monoisotopic Mass:102.098271922
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:68.2
Isotope Atom Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of CYCLOHEXANONE-2,2,6,6-D4

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

CYCLOHEXANONE-2,2,6,6-D4

SDS

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