Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-tert-Butylphenyl cyclopropyl ketone |
EINECS | 254-078-8 |
CAS No. | 38675-79-5 | Density | 1.027 g/cm1.027 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
56-60 °C |
Formula | C14H18O | Boiling Point | 303.6 °C at 760 mmHg |
Molecular Weight | 202.296 | Flash Point | 126.4 °C |
Transport Information | N/A | Appearance | white to slightly brown crystalline powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ketone,p-tert-butylphenyl cyclopropyl (7CI);NSC 163106;p-tert-Butylphenylcyclopropyl ketone;4-tert-Butylphenyl cyclopropyl ketone; |
Article Data | 7 |
The 4-tert-Butylphenyl cyclopropyl ketone with the CAS number 38675-79-5 is also called Methanone,cyclopropyl[4-(1,1-dimethylethyl)phenyl]-. Its molecular formula is C14H18O. The EINECS registry number is 254-078-8. This chemical is white to slightly brown crystalline powder.
The properties of the chemical are: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 395.55; (6)ACD/BCF (pH 7.4): 395.55; (7)ACD/KOC (pH 5.5): 2515.84; (8)ACD/KOC (pH 7.4): 2515.84; (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: 1.54; (14)Molar Refractivity: 61.86 cm3; (15)Molar Volume: 196.9 cm3; (16)Polarizability: 24.52×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Enthalpy of Vaporization: 54.39 kJ/mol; (19)Vapour Pressure: 0.000923 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C(C)(C)C)C2CC2
(2)InChI: InChI=1/C14H18O/c1-14(2,3)12-8-6-11(7-9-12)13(15)10-4-5-10/h6-10H,4-5H2,1-3H3
(3)InChIKey: XVDLXILLBPXUPJ-UHFFFAOYAJ