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Basic Information
CAS No.: 6006-82-2
Name: 3,4-(METHYLENEDIOXY)PHENETHYL ALCOHOL
Molecular Structure:
Molecular Structure of 6006-82-2 (3,4-(METHYLENEDIOXY)PHENETHYL ALCOHOL)
Formula: C9H10O3
Molecular Weight: 166.177
Synonyms: Phenethylalcohol, 3,4-(methylenedioxy)- (6CI,8CI);2-(1,3-Benzodioxol-5-yl)ethanol;2-(3,4-Methylenedioxyphenyl)-1-ethanol;2-(3,4-Methylenedioxyphenyl)ethanol;2-(3,4-Methylenedioxyphenyl)ethyl alcohol;3,4-(Methylenedioxy)phenethylalcohol;Homopiperonyl alcohol;
Density: 1.269 g/cm3
Boiling Point: 286.7 °C at 760 mmHg
Flash Point: 127.2 °C
Hazard Symbols: Xi
Risk Codes: 41
Safety: 26-39
PSA: 38.69000
LogP: 0.95010
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Specification

The 1,3-Benzodioxole-5-ethanol, with CAS registry number 6006-82-2, belongs to the following product categories: Benzhydrols, Benzyl & Special Alcohols. It has the systematic name of 2-(1,3-benzodioxol-5-yl)ethanol. Besides this, it is also called 3,4-(Methylenedioxy)phenethyl alcohol. And the chemical formula of this chemical is C9H10O3.

Physical properties of 1,3-Benzodioxole-5-ethanol: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 4.99; (6)ACD/BCF (pH 7.4): 4.99; (7)ACD/KOC (pH 5.5): 109.92; (8)ACD/KOC (pH 7.4): 109.92; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 43.49 cm3; (15)Molar Volume: 130.9 cm3; (16)Polarizability: 17.24×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 127.2 °C; (20)Enthalpy of Vaporization: 55.54 kJ/mol; (21)Boiling Point: 286.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c2ccc(cc2OC1)CCO
(2)InChI: InChI=1/C9H10O3/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5,10H,3-4,6H2
(3)InChIKey: JADSGOFBFPTCHG-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H10O3/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5,10H,3-4,6H2
(5)Std. InChIKey: JADSGOFBFPTCHG-UHFFFAOYSA-N