Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo-

Modify Date: 2025-08-26 10:20:04

Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- Structure
Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- structure
Common Name Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo-
CAS Number 7027-11-4 Molecular Weight 165.23200
Density 1.53g/cm3 Boiling Point 677.2ºC at 760 mmHg
Molecular Formula C10H15NO Melting Point N/A
MSDS N/A Flash Point 363.3ºC

 Names

Name 1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.53g/cm3
Boiling Point 677.2ºC at 760 mmHg
Molecular Formula C10H15NO
Molecular Weight 165.23200
Flash Point 363.3ºC
Exact Mass 165.11500
PSA 40.86000
LogP 2.29548
Index of Refraction 1.701

 Safety Information

Hazard Codes Xn
Risk Phrases 22-43-48/22-52/53
HS Code 2926909090

 Synthetic Route

~93%

Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- Structure

Cyclohexanecarb...

CAS#:7027-11-4

Literature: Kunsmann-Keitel, Dagmar Pascale; Braun, Gerold; Munster, Ingo; Mundinger, Klaus; Scherhag, Gunter; Siegel, Wolfgang Patent: US2004/92761 A1, 2004 ; Location in patent: Page 2-3 ;

~61%

Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- Structure

Cyclohexanecarb...

CAS#:7027-11-4

Literature: Ito, Yoshihiko; Kato, Hidehito; Imai, Hiroshi; Saegusa, Takeo Journal of the American Chemical Society, 1982 , vol. 104, # 23 p. 6449 - 6450

~%

Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- Structure

Cyclohexanecarb...

CAS#:7027-11-4

Literature: BASF Aktiengesellschaft Patent: US5516928 A1, 1996 ;

~93%

Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- Structure

Cyclohexanecarb...

CAS#:7027-11-4

Literature: Dischino, Douglas D.; Cianci, Christopher; Krystal, Mark; Meanwell, Nicholas A.; Morimoto, Hiromi; Pearce, Bradley C.; Williams, Philip; Yu, Kuo-Long Journal of Labelled Compounds and Radiopharmaceuticals, 1999 , vol. 42, # 10 p. 965 - 974

~91%

Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- Structure

Cyclohexanecarb...

CAS#:7027-11-4

Literature: Pandey, Satish C.; Singh, Sudhir S.; Patro, Balaram; Ghosh, Anil C. Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004 , vol. 43, # 12 p. 2705 - 2707

~%

Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- Structure

Cyclohexanecarb...

CAS#:7027-11-4

Literature: BASF Aktiengesellschaft Patent: US6022988 A1, 2000 ;

~%

Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- Structure

Cyclohexanecarb...

CAS#:7027-11-4

Literature: Nippon Chemicals Co., Ltd. Patent: US5179221 A1, 1993 ;

~%

Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo- Structure

Cyclohexanecarb...

CAS#:7027-11-4

Literature: Whitmore; Roberts Journal of Organic Chemistry, 1948 , vol. 13, p. 31,34

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

5-Oxo-1,3,3-trimethylcyclohexanecarbonitrile
3-Cyano-3,5,5-trimethylcyclohexanone
Cychohexanecarbonitrile,1,3,3-trimethyl-5-oxo
3,3,5-Trimethyl-5-cyanocyclohexanone
Cyclohexanecarbonitrile,1,3,3-trimethyl-5-oxo
isophoronenitrile
1,3,3-trimethyl-5-oxo-cyclohexane-carbonitrile
cyano-3 trimethyl-3,5,5 cyclohexanone
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