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
InChIKey JJDFVIDVSCYKDS-UHFFFAOYSA-N
SMILES CC1(C)CC(=O)CC(C)(C#N)C1

 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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