Basic information
- Name:
1,3-Benzodioxole-4-methanol
- CAS No.:
769-30-2
- Molecular Structure:
- Formula:
- C8H8O3
- Molecular Weight:
- 152.15
- Synonyms:
- Benzylalcohol, 2,3-(methylenedioxy)- (6CI,7CI,8CI);(Benzo[d][1,3]dioxol-7-yl)methanol;2,3-(Methylenedioxy)benzyl alcohol;4-(Hydroxymethyl)-1,3-benzodioxole;Benzodioxol-4-ylmethanol;o-Piperonylalcohol;
- Density:
- 1.329 g/cm3
- Boiling Point:
- 287.9 °C at 760 mmHg
- Flash Point:
- 127.9 °C
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Specification
The 1,3-Benzodioxole-4-methanol is an organic compound with the formula C8H8O3. The systematic name of this chemical is 1,3-benzodioxol-4-ylmethanol. With the CAS registry number 769-30-2, it is also named as benzo[d][1,3]dioxol-4-ylmethanol.
Physical properties about 1,3-Benzodioxole-4-methanol are: (1)ACD/LogP: 0.90; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 0.9; (4)ACD/BCF (pH 5.5): 2.83; (5)ACD/BCF (pH 7.4): 2.83; (6)ACD/KOC (pH 5.5): 73.21; (7)ACD/KOC (pH 7.4): 73.21; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 27.69 Å2; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 38.86 cm3; (14)Molar Volume: 114.4 cm3; (15)Polarizability: 15.4×10-24cm3; (16)Surface Tension: 58.2 dyne/cm; (17)Density: 1.329 g/cm3; (18)Flash Point: 127.9 °C; (19)Enthalpy of Vaporization: 55.67 kJ/mol; (20)Boiling Point: 287.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00112 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1c2cccc(c2OC1)CO
(2)InChI: InChI=1/C8H8O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,9H,4-5H2
(3)InChIKey: XVCMMPXFVAHHQN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,9H,4-5H2
(5)Std. InChIKey: XVCMMPXFVAHHQN-UHFFFAOYSA-N
