ChemicalBook--->CAS DataBase List--->2095678-97-8

2095678-97-8

2095678-97-8 Structure

2095678-97-8 Structure
IdentificationBack Directory
[Name]

Propofol Impurity
[CAS]

2095678-97-8
[Synonyms]

Propofol Impurity
Propofol Benzoate
Propofol Impurity P
Propofol Impurity 16(Propofol EP Impurity P)
Benzoic acid, 4-?hydroxy-?3,?5-?bis(1-?methylethyl)?-?, 1-?methylethyl ester
[Molecular Formula]

C16H24O3
[MDL Number]

MFCD28656729
[MOL File]

2095678-97-8.mol
[Molecular Weight]

264.36
Chemical PropertiesBack Directory
[Boiling point ]

358.7±42.0 °C(Predicted)
[density ]

1.019±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.48±0.25(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical small molecule
[InChI]

1S/C16H24O3/c1-9(2)13-7-12(16(18)19-11(5)6)8-14(10(3)4)15(13)17/h7-11,17H,1-6H3
[InChIKey]

AQFMOBJQAQLNSL-UHFFFAOYSA-N
[SMILES]

O=C(OC(C)C)C1=CC(C(C)C)=C(O)C(C(C)C)=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

Isopropyl 4-Hydroxy-3,5-diisopropylbenzoate is an important reagent for the synthesis of high purity propofol, that slows down the activity of the brain and nervous system. Impurity of the drug Propofol (P829750).
Spectrum DetailBack Directory
[Spectrum Detail]

Isopropyl4-hydroxy-3,5-diisopropylbenzoate(2095678-97-8)1HNMR
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