CAS No.22961-82-6,2,2-dimethylbenzo[1,3]dioxol-4-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22961-82-6
Name:	2,2-dimethylbenzo[1,3]dioxol-4-ol
Article Data:	12

Formula:	C₉H₁₀O₃
Molecular Weight:	166.177
Synonyms:	Phenol,2,3-(isopropylidenedioxy)- (8CI);2,3-(Isopropylidenedioxy)phenol;2,2-Dimethyl-1,3-benzodioxol-4-ol;2,2-Dimethyl-4-hydroxy-1,3-benzodioxole;
EINECS:	400-900-7
Density:	1.209 g/cm³
Boiling Point:	239.586 °C at 760 mmHg
Flash Point:	98.699 °C
Appearance:	White crystalline solid
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	24-26-39
PSA:	38.69000
LogP:	1.89950

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Specification

The 1,3-Benzodioxol-4-ol,2,2-dimethyl-, with the CAS registry number 22961-82-6, is also known as 2,2-Dimethylbenzo[1,3]dioxol-4-ol. Its EINECS registry number is 400-900-7. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 166.17. What's more, both its IUPAC name and systematic name are the same which is called 2,2-Dimethyl-1,3-benzodioxol-4-ol.

Physical properties about 1,3-Benzodioxol-4-ol,2,2-dimethyl- are: (1)ACD/LogP: 1.758; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.77; (6) ACD/BCF (pH 7.4): 12.69; (7)ACD/KOC (pH 5.5): 215.50; (8)ACD/KOC (pH 7.4): 214.19; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.69 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 43.617 cm³; (15)Molar Volume: 137.455 cm³; (16)Polarizability: 17.291×10^-24cm³; (17)Surface Tension: 47.415 dyne/cm; (18)Density: 1.209 g/cm³; (19)Flash Point: 98.699 °C; (20)Enthalpy of Vaporization: 49.58 kJ/mol; (21)Boiling Point: 239.586 °C at 760 mmHg; (22)Vapour Pressure: 0.026 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and it has serious damage to eyes. Therefore, you should wear eye/face protection and avoid contacting with skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O1c2cccc(O)c2OC1(C)C
(2) InChI: InChI=1S/C9H10O3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,10H,1-2H3
(3) InChIKey: CSSWBRMYHJVCPZ-UHFFFAOYSA-N