1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol

Modify Date: 2025-08-21 19:34:11

1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol Structure
1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol structure
Common Name 1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol
CAS Number 93413-76-4 Molecular Weight 245.31700
Density 1.142 g/cm3 Boiling Point 410.146ºC at 760 mmHg
Molecular Formula C15H19NO2 Melting Point 121-123ºC
MSDS N/A Flash Point 201.849ºC

 Names

Name (1-Hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.142 g/cm3
Boiling Point 410.146ºC at 760 mmHg
Melting Point 121-123ºC
Molecular Formula C15H19NO2
Molecular Weight 245.31700
Flash Point 201.849ºC
Exact Mass 245.14200
PSA 53.25000
LogP 2.99758
Index of Refraction 1.561
InChIKey ASYJSBPNAIDUHX-UHFFFAOYSA-N
SMILES COc1ccc(C(C#N)C2(O)CCCCC2)cc1

 Safety Information

Hazard Codes Xi
HS Code 2926909090

 Synthetic Route

~91%

1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol Structure

1-[Cyano-(p-met...

CAS#:93413-76-4

Literature: UNICHEM LABORATORIES LIMITED Patent: WO2007/94008 A2, 2007 ; Location in patent: Page/Page column 7 ;

~98%

1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol Structure

1-[Cyano-(p-met...

CAS#:93413-76-4

Literature: Mantelingu; Kavitha; Rangappa; Naveen; Sridhar; Prasad, J. Shashidhara Molecular Crystals and Liquid Crystals, 2007 , vol. 469, # 1 p. 121 - 129

~83%

1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol Structure

1-[Cyano-(p-met...

CAS#:93413-76-4

Literature: KANDULA, Mahesh Patent: WO2013/167990 A1, 2013 ; Location in patent: Paragraph 0094; 0095 ;

~77%

1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol Structure

1-[Cyano-(p-met...

CAS#:93413-76-4

Literature: John Wyeth and Bro., Limited Patent: US5043466 A1, 1991 ;

~82%

1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol Structure

1-[Cyano-(p-met...

CAS#:93413-76-4

Literature: Sepracor Inc. Patent: US2004/106576 A1, 2004 ;

~96%

1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol Structure

1-[Cyano-(p-met...

CAS#:93413-76-4

Literature: Basappa; Kavitha; Rangappa Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 12 p. 3279 - 3281

 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

MFCD06658142
1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol
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