2-Hydroxy-2-methyl-1-(4-tert-butyl)phenylpropan-1-one supplier

Name
1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one
EINECS 270-044-5
CAS No. 68400-54-4
Article Data8
CAS DataBase
Density 1.009 g/cm3
Solubility
Melting Point
Formula C₁₄H₂₀O₂
Boiling Point 327 °C at 760 mmHg
Molecular Weight 220.312
Flash Point 138.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Darocur1020;IHT-PI 185;2-Hydroxy-2-methyl-1-(4-tert-butyl)phenylpropan-1-one;
PSA 37.30000
LogP 2.93770

2-Hydroxy-2-methyl-1-(4-tert-butyl)phenylpropan-1-one Specification

The 2-Hydroxy-2-methyl-1-(4-tert-butyl)phenylpropan-1-one with the cas number 68400-54-4 is also called 1-Propanone,1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methyl-. Both the systematic name and IUPAC name are 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpropan-1-one. Its EINECS registry number is 270-044-5. The molecular formula is C₁₄H₂₀O₂. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.35; (6)ACD/BCF (pH 7.4): 82.35; (7)ACD/KOC (pH 5.5): 818.14; (8)ACD/KOC (pH 7.4): 818.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 65.43 cm³; (15)Molar Volume: 218.2 cm³; (16)Polarizability: 25.94×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Enthalpy of Vaporization: 60.09 kJ/mol; (19)Vapour Pressure: 8.43×10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C(C)(C)C)C(O)(C)C
(2)InChI: InChI=1/C14H20O2/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4,5)16/h6-9,16H,1-5H3
(3)InChIKey: JHXJMPVUVKIGKC-UHFFFAOYAE

Product Name

1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-methylpropan-1-one

2-Hydroxy-2-methyl-1-(4-tert-butyl)phenylpropan-1-one Specification

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