ChemicalBook--->CAS DataBase List--->2934-05-6

2934-05-6

2934-05-6 Structure

2934-05-6 Structure
IdentificationBack Directory
[Name]

2,4-DIISOPROPYLPHENOL
[CAS]

2934-05-6
[Synonyms]

2,4-DIISOPROPYLPHENOL
2,4-diisopropyl-pheno
Propofol EP Impurity A
2,4-bis(1-Methylethyl)-
Phenol, 2,4-diisopropyl-
2,4-bis(1-methylethyl)-pheno
2,4-Bis(1-methylethyl)phenol
Phenol, 2,4-diisopropyl-Phenol
Phenol,2,4-bis(1-methylethyl)-
Propofol Impurity 1(Propofol EP Impurity A)
[EINECS(EC#)]

220-906-1
[Molecular Formula]

C12H18O
[MDL Number]

MFCD01707536
[MOL File]

2934-05-6.mol
[Molecular Weight]

178.27
Chemical PropertiesBack Directory
[Melting point ]

37.99°C (estimate)
[Boiling point ]

79-80 °C(lit.)
[density ]

0.948 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.5130(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

10.76±0.18(Predicted)
[color ]

Colorless to light yellow
[Water Solubility ]

Sparingly soluble at water (0.25 g/L at 25°C).
[InChI]

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

KEUMBYCOWGLRBQ-UHFFFAOYSA-N
[SMILES]

CC(C)c1ccc(O)c(c1)C(C)C
[EPA Substance Registry System]

Phenol, 2,4-bis(1-methylethyl)- (2934-05-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[RTECS ]

SL0800000
[HS Code ]

2907199090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

mouse,LD50,intravenous,120mg/kg (120mg/kg),BEHAVIORAL: SLEEP,Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
Hazard InformationBack Directory
[Uses]

2,4-Diisopropylphenol is a related compound of Propofol (P829750), as an antioxidant.
[General Description]

2,4-Diisopropylphenol, commonly known as 2,4-propofol, is an isomeric form of propofol. EC50 Microtox (5min, 25°C) assay value of 2,4-diisopropylphenol is 2x10-4mM. It is formed as one of the reaction products from the reaction between boron fluoride with isopropyl phenyl ether.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-DIISOPROPYLPHENOL(2934-05-6)MS
2,4-DIISOPROPYLPHENOL(2934-05-6)1HNMR
2,4-DIISOPROPYLPHENOL(2934-05-6)13CNMR
2,4-DIISOPROPYLPHENOL(2934-05-6)IR1
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