2,2-Dimethyl-1,3-benzodioxole supplier

Name
2,2-Dimethyl-1,3-benzodioxole
EINECS
CAS No. 14005-14-2
Article Data33
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point 3 °C
Formula C₉H₁₀O₂
Boiling Point 186.9 °C at 760 mmHg
Molecular Weight 150.177
Flash Point 69 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 18.46000
LogP 2.19390

2,2-Dimethyl-1,3-benzodioxole Specification

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

Product Name

2,2-Dimethyl-1,3-benzodioxole

2,2-Dimethyl-1,3-benzodioxole Specification

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