1-Cyanocyclohexaneaceticacid

Modify Date: 2025-08-21 14:58:26

1-Cyanocyclohexaneaceticacid Structure
1-Cyanocyclohexaneaceticacid structure
 Common Name 1-Cyanocyclohexaneaceticacid
CAS Number 133481-09-1 Molecular Weight 167.205
Density 1.1±0.1 g/cm3 Boiling Point 356.6±15.0 °C at 760 mmHg
Molecular Formula C9H13NO2 Melting Point 98-100ºC
MSDS N/A Flash Point 169.5±20.4 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name 2-(1-cyanocyclohexyl)acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 356.6±15.0 °C at 760 mmHg
Melting Point 98-100ºC
Molecular Formula C9H13NO2
Molecular Weight 167.205
Flash Point 169.5±20.4 °C
Exact Mass 167.094635
PSA 61.09000
LogP 1.05
Vapour Pressure 0.0±1.7 mmHg at 25°C
Index of Refraction 1.498
Storage condition -20°C Freezer

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H412
Precautionary Statements P273
Hazard Codes Xi
Risk Phrases 22
RIDADR NONH for all modes of transport
HS Code 2926909090

 Synthetic Route

1-Cyanocyclohexaneacetonitrile structure

1-Cyanocyclohex...

CAS#:4172-99-0

~98%

1-Cyanocyclohexaneaceticacid Structure

1-Cyanocyclohex...

CAS#:133481-09-1

Literature: HIKAL LIMITED; YERANDE, Swapnil, Gulabrao; THAKUR, Rajesh, Mataprasad; SHARMA, Sundarakrishna, S.; GANGOPADHYAY, Ashok, Kumar; RUPP, Helmut; KUBAVAT, Hitesh; NAGARAJAN, Kuppuswamy; SELVAN, Arul; NUNNA, Rambabu; JALAJAKSHI, Vivekananda, Induharappa Patent: WO2013/190357 A1, 2013 ; Location in patent: Page/Page column 22 ;
1-(1,3-dioxolan-2-ylmethyl)cyclohexanecarbonitrile structure

1-(1,3-dioxolan...

CAS#:1001024-20-9

~82%

1-Cyanocyclohexaneaceticacid Structure

1-Cyanocyclohex...

CAS#:133481-09-1

Literature: ZACH SYSTEM S.P.A. Patent: WO2008/4115 A1, 2008 ; Location in patent: Page/Page column 17 ;
N/A structure

N/A

CAS#:223114-38-3

~94%

1-Cyanocyclohexaneaceticacid Structure

1-Cyanocyclohex...

CAS#:133481-09-1

Literature: Warner-Lambert Company Patent: US6294690 B1, 2001 ;
N/A structure

N/A

CAS#:134638-91-8

~%

1-Cyanocyclohexaneaceticacid Structure

1-Cyanocyclohex...

CAS#:133481-09-1

Literature: US5068413 A1, ;
ETHYL (1-CYANOCYCLOHEXYL)ACETATE structure

ETHYL (1-CYANOC...

CAS#:133481-10-4

~%

1-Cyanocyclohexaneaceticacid Structure

1-Cyanocyclohex...

CAS#:133481-09-1

Literature: US6294690 B1, ;
Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1

~%

1-Cyanocyclohexaneaceticacid Structure

1-Cyanocyclohex...

CAS#:133481-09-1

Literature: WO2013/190357 A1, ;
CYANO-CYCLOHEXYLIDENE-ACETIC ACIDMETHYL ESTER structure

CYANO-CYCLOHEXY...

CAS#:55568-06-4

~%

1-Cyanocyclohexaneaceticacid Structure

1-Cyanocyclohex...

CAS#:133481-09-1

Literature: WO2013/190357 A1, ;

 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

1-Cyanocyclohexaneaceticacid
Gabapentin Related Compound B
1-Cyanocyclohexaneacetic acid
UNII-E1393FZ76L
(1-Cyanocyclohexyl)acetic acid
Cyclohexaneacetic acid, 1-cyano-
Gabapentin impurity B
Gabapentin Impurity 2
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