Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzene, (2,2-diethoxyethyl)- |
EINECS | 228-642-9 |
CAS No. | 6314-97-2 | Density | 0.964 g/cm3 |
PSA | 18.46000 | LogP | 2.62820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H18O2 | Boiling Point | 237.4 °C at 760 mmHg |
Molecular Weight | 194.274 | Flash Point | 75 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetaldehyde,phenyl-, diethyl acetal (6CI,8CI);(2,2-Diethoxyethyl)benzene;1,1-Diethoxy-2-phenylethane;Benzeneacetaldehyde, diethyl acetal;NSC 20031;Phenylacetaldehyde diethyl acetal;Phenylethanal diethyl acetal; |
Article Data | 29 |
This chemical is called Benzene, (2,2-diethoxyethyl)-, and its systematic name is (2,2-diethoxyethyl)benzene. With the molecular formula of C12H18O2, its molecular weight is 194.27. The CAS registry number of this chemical is 6314-97-2.
Other characteristics of the Benzene, (2,2-diethoxyethyl)- can be summarised as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 142.45; (6)ACD/BCF (pH 7.4): 142.45; (7)ACD/KOC (pH 5.5): 1211.14; (8)ACD/KOC (pH 7.4): 1211.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 57.78 cm3; (15)Molar Volume: 201.3 cm3; (16)Polarizability: 22.9×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.964 g/cm3; (19)Flash Point: 75 °C; (20)Enthalpy of Vaporization: 45.5 kJ/mol; (21)Boiling Point: 237.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0691 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(C(OCC)Cc1ccccc1)CC
2.InChI: InChI=1/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
3.InChIKey: FYERTDTXGGOMGT-UHFFFAOYAI