Basic information Safety Supplier Related

4-METHOXYCYCLOHEXANECARBOXYLIC ACID

Basic information Safety Supplier Related

4-METHOXYCYCLOHEXANECARBOXYLIC ACID Basic information

Product Name:
4-METHOXYCYCLOHEXANECARBOXYLIC ACID
Synonyms:
  • LABOTEST-BB LT00452096
  • 4-methoxycyclohexylcarboxylic acid
  • 4-Methoxycyclohexanecarboxylic acid, Mixture of cis and trans 97%
  • 4-METHOXYCYCLOHEXANECARBOXYLIC ACID
  • 4-METHOXYCYCLOHEXANECARBOXYLIC ACID, 97% , MIXTURE OF CIS AND TRANS
  • 4-methoxycyclohexanecarboxylic acid, mixture of cis and trans
  • 4-Methoxycyclohexane-1-carboxylic acid
  • Cyclohexanecarboxylic acid, 4-methoxy-
CAS:
95233-12-8
MF:
C8H14O3
MW:
158.2
Product Categories:
  • C8
  • Carbonyl Compounds
  • Carboxylic Acids
Mol File:
95233-12-8.mol
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4-METHOXYCYCLOHEXANECARBOXYLIC ACID Chemical Properties

Melting point:
55.5-58.5 °C
Boiling point:
150-165 °C(Press: 25 Torr)
Density 
1.09±0.1 g/cm3(Predicted)
refractive index 
n20/D 1.4687(lit.)
Flash point:
>230 °F
storage temp. 
Storage temp. 2-8°C
pka
4.68±0.10(Predicted)
form 
liquid
Appearance
White to off-white <55.5°C Solid,>58.5°C Liquid
InChI
InChI=1S/C8H14O3/c1-11-7-4-2-6(3-5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
WKILSRYNRQGRMA-UHFFFAOYSA-N
SMILES
C1(C(O)=O)CCC(OC)CC1
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-37/39
WGK Germany 
3

MSDS

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4-METHOXYCYCLOHEXANECARBOXYLIC ACID Usage And Synthesis

Uses

4-Methoxycyclohexanecarboxylic acid is a reagent used in the discovery of a series of highly brain penetrant which are selective muscarinic M1 agonists.

General Description

cis-4-Methoxycyclohexanecarboxylic acid reacts with methyllithium to afford ketone, cis-4-methoxy-1-acetylcyclohexane. Reaction of cis-4-methoxycyclohexanecarboxylic acid with acetic acid and catalytic amount of sulphuric acid has been investigated.

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