ChemicalBook--->CAS DataBase List--->52034-92-1

52034-92-1

52034-92-1 Structure

52034-92-1 Structure
IdentificationBack Directory
[Name]

DICYCLOHEXYLACETIC ACID
[CAS]

52034-92-1
[Synonyms]

DICYCLOHEXYLACETIC ACID
Dicyclohexylacetic acid 99%
2,2-dicyclohexylacetic acid
Dicyclohexylacetic acid, 98+%
Cyclohexaneacetic acid, α-cyclohexyl-
[Molecular Formula]

C14H24O2
[MDL Number]

MFCD00075017
[MOL File]

52034-92-1.mol
[Molecular Weight]

224.34
Chemical PropertiesBack Directory
[Melting point ]

139-141 °C(lit.)
[Boiling point ]

353.2±10.0 °C(Predicted)
[density ]

1.040±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

solid
[pka]

4.81±0.10(Predicted)
[Appearance]

White to off-white Solid
[Water Solubility ]

Sparingly soluble in water.(0.26 g/L) (25°C),
[InChI]

1S/C14H24O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,15,16)
[InChIKey]

PGGMEZOUAPIYOY-UHFFFAOYSA-N
[SMILES]

OC(=O)C(C1CCCCC1)C2CCCCC2
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29162090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Solid
[Uses]

Dicyclohexylacetic acid was used in the synthesis of 2,2-dicyclohexyl-1-(4′-methyl)-phenylethanone. It was also used in the synthesis of catena-poly [[trimethyltin (IV)]--2, 2-dicyclohexylacetato-2O: O′].
[Uses]

It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.
Spectrum DetailBack Directory
[Spectrum Detail]

DICYCLOHEXYLACETIC ACID(52034-92-1)1HNMR
DICYCLOHEXYLACETIC ACID(52034-92-1)IR
DICYCLOHEXYLACETIC ACID(52034-92-1)Raman
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