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CAS No.: | 39270-39-8 |
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Name: | 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLMETHANOL |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | RARECHEM AL BD 0202;3,4-ETHYLENEDIOXYBENZYL ALCOHOL;2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLMETHANOL;2,3-dihydro-1,4-benzodioxin-6-methanol;6-(Hydroxymethyl)-2,3-dihydro-1,4-benzodioxin;(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanol;2,3-Dihydro-6-(hydroxymethyl)-1,4-benzodioxine;(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-Methanol |
EINECS: | 254-396-7 |
Density: | 1.257g/cm3 |
Boiling Point: | 301.232 °C at 760 mmHg |
Flash Point: | 135.98 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 38.69000 |
LogP: | 0.95010 |
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The 1,4-Benzodioxin-6-methanol,2,3-dihydro-, with CAS registry number 39270-39-8, belongs to the following product category: Benzhydrols, Benzyl & Special Alcohols. It has the systematic name of 2,3-dihydro-1,4-benzodioxin-6-ylmethanol. And the chemical formula of this chemical is C9H10O3. What's more, its EINECS is 254-396-7.
Physical properties of 1,4-Benzodioxin-6-methanol,2,3-dihydro-: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.721; (4)ACD/LogD (pH 7.4): 0.721; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 2.08; (7)ACD/KOC (pH 5.5): 58.781; (8)ACD/KOC (pH 7.4): 58.781; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.69 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 43.477 cm3; (15)Molar Volume: 132.166 cm3; (16)Polarizability: 17.236×10-24cm3; (17)Surface Tension: 52.769 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 135.98 °C; (20)Enthalpy of Vaporization: 57.166 kJ/mol; (21)Boiling Point: 301.232 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 1,4-Benzodioxin-6-methanol,2,3-dihydro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1CO)OCCO2
(2)InChI: InChI=1/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2
(3)InChIKey: FFLHNBGNAWYMRH-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2
(5)Std. InChIKey: FFLHNBGNAWYMRH-UHFFFAOYSA-N