Basic Information | Post buying leads | Suppliers |
Name |
1-Phenylbutan-2-one |
EINECS | N/A |
CAS No. | 41903-43-9 | Density | 0.972 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12O | Boiling Point | 228.1 °C at 760 mmHg |
Molecular Weight | 148.20 | Flash Point | 90.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
This chemical is called 1-Phenylbutan-2-one, and it can also be named as 2-butanone, 1-phenyl-. With the molecular formula of C10H12O, its molecular weight is 148.20. The CAS registry number of this chemical is 41903-43-9.
Other characteristics of the 1-Phenylbutan-2-one can be summarised as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.51; (6)ACD/BCF (pH 7.4): 18.51; (7)ACD/KOC (pH 5.5): 281.11; (8)ACD/KOC (pH 7.4): 281.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 45.09 cm3; (15)Molar Volume: 152.3 cm3; (16)Polarizability: 17.87×10-24cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 0.972 g/cm3; (19)Flash Point: 90.6 °C; (20)Enthalpy of Vaporization: 46.46 kJ/mol; (21)Boiling Point: 228.1 °C at 760 mmHg; (22)Vapour Pressure: 0.075 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Cc1ccccc1)CC
2.InChI: InChI=1/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
3.InChIKey: GKDLTXYXODKDEA-UHFFFAOYAG