ChemicalBook--->CAS DataBase List--->35946-91-9

35946-91-9

35946-91-9 Structure

35946-91-9 Structure
IdentificationBack Directory
[Name]

2,5-DIISOPROPYLPHENOL
[CAS]

35946-91-9
[Synonyms]

CPD2034
Einecs 252-807-4
Propofol impurity D
2,5-DIISOPROPYLPHENOL
Propofol EP Impurity D
2,5-di(propan-2-yl)phenol
2,5-bis(1-methylethyl)phenol
p-Diisopropylbenzene monoalc.
Phenol, 2,5-bis(1-methylethyl)-
Propofol Impurity 4(Propofol EP Impurity D)
[EINECS(EC#)]

252-807-4
[Molecular Formula]

C12H18O
[MDL Number]

MFCD00026396
[MOL File]

35946-91-9.mol
[Molecular Weight]

178.27
Chemical PropertiesBack Directory
[Melting point ]

118-119 °C
[Boiling point ]

115-120 °C
[density ]

0.948±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

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

Oil
[pka]

10.55±0.10(Predicted)
[color ]

Dark Red to Very Dark Red
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3
[InChIKey]

VFNUNYPYULIJSN-UHFFFAOYSA-N
[SMILES]

C1(O)=CC(C(C)C)=CC=C1C(C)C
[EPA Substance Registry System]

Phenol, 2,5-bis(1-methylethyl)- (35946-91-9)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

2,5-Diisopropylphenol (Propofol EP Impurity D) inhibits propofol glucuronidation of propofol (2,6-diisopropylphenol), an anesthetic.
[Definition]

ChEBI: 2,5-diisopropylphenol is a monoterpenoid.
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-DIISOPROPYLPHENOL(35946-91-9)1HNMR
2,5-DIISOPROPYLPHENOL(35946-91-9)13CNMR
2,5-DIISOPROPYLPHENOL(35946-91-9)IR1
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