1,3-Benzodioxole-4-methanol supplier

Name
1,3-BENZODIOXOL-4-YLMETHANOL
EINECS
CAS No. 769-30-2
Article Data19
CAS DataBase
Density 1.329 g/cm³
Solubility
Melting Point 39℃
Formula C₈H₈O₃
Boiling Point 287.9 °C at 760 mmHg
Molecular Weight 152.15
Flash Point 127.9 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 38.69000
LogP 0.90760

1,3-Benzodioxole-4-methanol 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

Product Name

1,3-BENZODIOXOL-4-YLMETHANOL

1,3-Benzodioxole-4-methanol Specification

Related Products

Hot Products