6-Hydroxy-1,4-benzodioxane supplier

Name
6-HYDROXY-1,4-BENZODIOXANE
EINECS
CAS No. 10288-72-9
Article Data33
CAS DataBase
Density 1.303 g/cm³
Solubility
Melting Point
Formula C₈H₈O₃
Boiling Point 291.405 °C at 760 mmHg
Molecular Weight 152.15
Flash Point 130.037 °C
Transport Information
Appearance Yellow oil
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,4-Benzodioxan-6-ol(6CI,7CI,8CI);2,3-Dihydro-6-hydroxy-1,4-benzodioxin;2,3-Dihydrobenzo[1,4]dioxin-6-ol;2,3-Dihydrobenzo[b][1,4]dioxin-6-ol;6-Hydroxy-1,4-benzodioxan;6-Hydroxy-1,4-benzodioxane;
PSA 38.69000
LogP 1.16340

6-Hydroxy-1,4-benzodioxane Specification

The IUPAC name of 1,4-Benzodioxin-6-ol,2,3-dihydro- is 2,3-dihydro-1,4-benzodioxin-6-ol. With the CAS registry number 10288-72-9, it is also named as 6-Hydroxy-1,4-benzodioxane. The product's category is Pharmaceutical Intermediates. In addition, its molecular formula is C₈H₈O₃ and its molecular weight is 152.15.

The other characteristics of 1,4-Benzodioxin-6-ol,2,3-dihydro- can be summarized as: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 104; (8)ACD/KOC (pH 7.4): 104; (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: 1.581; (14)Molar Refractivity: 38.908 cm³; (15)Molar Volume: 116.779 cm³; (16)Polarizability: 15.424×10^-24cm³; (17)Surface Tension: 54.77 dyne/cm; (18)Density: 1.303 g/cm³; (19)Flash Point: 130.037 °C; (20)Enthalpy of Vaporization: 55.211 kJ/mol; (21)Boiling Point: 291.405 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O1c2c(OCC1)cc(O)cc2
(2)InChI: InChI=1/C8H8O3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
(3)InChIKey: DBPZCGJRCAALLW-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H8O3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,9H,3-4H2
(5)Std. InChIKey: DBPZCGJRCAALLW-UHFFFAOYSA-N

Product Name

6-HYDROXY-1,4-BENZODIOXANE

6-Hydroxy-1,4-benzodioxane Specification

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