ChemicalBook--->CAS DataBase List--->95233-12-8

95233-12-8

95233-12-8 Structure

95233-12-8 Structure
IdentificationBack Directory
[Name]

4-METHOXYCYCLOHEXANECARBOXYLIC ACID
[CAS]

95233-12-8
[Synonyms]

LABOTEST-BB LT00452096
4-methoxycyclohexylcarboxylic acid
4-METHOXYCYCLOHEXANECARBOXYLIC ACID
4-Methoxycyclohexane-1-carboxylic acid
Cyclohexanecarboxylic acid, 4-methoxy-
4-methoxycyclohexanecarboxylic acid, mixture of cis and trans
4-Methoxycyclohexanecarboxylic acid, Mixture of cis and trans 97%
4-METHOXYCYCLOHEXANECARBOXYLIC ACID, 97% , MIXTURE OF CIS AND TRANS
[Molecular Formula]

C8H14O3
[MDL Number]

MFCD00074992
[MOL File]

95233-12-8.mol
[Molecular Weight]

158.2
Chemical PropertiesBack Directory
[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.)
[Fp ]

>230 °F
[storage temp. ]

Storage temp. 2-8°C
[form ]

liquid
[pka]

4.68±0.10(Predicted)
[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
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHOXYCYCLOHEXANECARBOXYLIC ACID(95233-12-8)1HNMR
4-METHOXYCYCLOHEXANECARBOXYLIC ACID(95233-12-8)Raman
4-METHOXYCYCLOHEXANECARBOXYLIC ACID(95233-12-8)IR
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