CAS No.29908-11-0,1,4-DIOXANE, 2-(HYDROXYMETHYL)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29908-11-0
Name:	1,4-DIOXANE, 2-(HYDROXYMETHYL)-
Article Data:	12

Formula:	C₅H₁₀O₃
Molecular Weight:	118.133
Synonyms:	1,4-Dioxane, 2-(hydroxymethyl)-;
Density:	1.102 g/cm³
Boiling Point:	208.2 °C at 760 mmHg
Flash Point:	96.3 °C
PSA:	38.69000
LogP:	-0.60590

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Specification

The 1,4-Dioxane-2-methanol, with the CAS registry number of 29908-11-0, is also known as 1,4-Dioxane, 2-(hydroxymethyl)-. This chemical's molecular formula is C₅H₁₀O₃ and molecular weight is 118.1311. What's more, its systematic name is 1,4-Dioxan-2-ylmethanol.

Physical properties about the 1,4-Dioxane-2-methanol are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.08; (5)ACD/KOC (pH 7.4): 10.08; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 38.69 Å²; (10)Index of Refraction: 1.433; (11)Molar Refractivity: 27.88 cm³; (12)Molar Volume: 107.1 cm³; (13)Surface Tension: 40.6 dyne/cm; (14)Density: 1.102 g/cm³; (15)Flash Point: 96.3 °C; (16)Enthalpy of Vaporization: 51.7 kJ/mol; (17)Boiling Point: 208.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0503 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC1COCCO1
(2) InChI: InChI=1/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2
(3) InChIKey: CMEPUAROFJSGJN-UHFFFAOYAF