Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Hydroxy-2-methyl-1-(4-tert-butyl)phenylpropan-1-one |
EINECS | 270-044-5 |
CAS No. | 68400-54-4 | Density | 1.009 g/cm3 |
PSA | 37.30000 | LogP | 2.93770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H20O2 | Boiling Point | 327 °C at 760 mmHg |
Molecular Weight | 220.312 | Flash Point | 138.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Darocur1020;IHT-PI 185;2-Hydroxy-2-methyl-1-(4-tert-butyl)phenylpropan-1-one; |
Article Data | 8 |
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