Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,2-Dimethyl-1,3-benzodioxole |
EINECS | N/A |
CAS No. | 14005-14-2 | Density | 1.08 g/cm3 |
PSA | 18.46000 | LogP | 2.19390 |
Solubility | N/A | Melting Point |
3 °C |
Formula | C9H10O2 | Boiling Point | 186.9 °C at 760 mmHg |
Molecular Weight | 150.177 | Flash Point | 69 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzene,1,2-(isopropylidenedioxy)- (8CI);1,2-(Isopropylidenedioxy)benzene;2,2-Dimethyl-1,3-benzodioxole;2,2-Dimethylbenzo[d][1,3]dioxole;NSC 143506; |
Article Data | 33 |
The 2,2-Dimethyl-1,3-benzodioxole, with the CAS registry number 14005-14-2, is also called 1,3-benzodioxole, 2,2-dimethyl-. And the molecular formula of the chemical is C9H10O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 41.73 cm3; (9)Molar Volume: 139 cm3; (10)Polarizability: 16.54×10-24cm3; (11)Surface Tension: 38.2 dyne/cm; (12)Density: 1.08 g/cm3; (13)Flash Point: 69 °C; (14)Enthalpy of Vaporization: 40.58 kJ/mol; (15)Boiling Point: 186.9 °C at 760 mmHg; (16)Vapour Pressure: 0.89 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1c2ccccc2OC1(C)C
(2)InChI: InChI=1/C9H10O2/c1-9(2)10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3
(3)InChIKey: BWBIFYYKIWPTRV-UHFFFAOYAA