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Basic Information
CAS No.: 38802-97-0
Name: 5-Ethyl-5-(hydroxymethyl)-1,3-dioxan-2-one
Molecular Structure:
Molecular Structure of 38802-97-0 (5-Ethyl-5-(hydroxymethyl)-1,3-dioxan-2-one)
Formula: C7H12O4
Molecular Weight: 160.17
Synonyms: Trimethylolpropane cyclic carbonate (1:1);Trimethylolpropane carbonate;
Density: 1.147 g/cm3
Boiling Point: 325.996 °C at 760 mmHg
Flash Point: 136.967 °C
PSA: 55.76000
LogP: 0.54190
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Specification

The 1,3-Dioxan-2-one,5-ethyl-5-(hydroxymethyl)- with CAS registry number of 38802-97-0 is also known as Trimethylolpropane carbonate. The systematic name is 5-Ethyl-5-(hydroxymethyl)-1,3-dioxan-2-one. In addition, the formula is C7H12O4 and the molecular weight is 160.17.

Physical properties about 1,3-Dioxan-2-one,5-ethyl-5-(hydroxymethyl)- are: (1)ACD/LogP: -0.56; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15; (5)ACD/KOC (pH 7.4): 15; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.446; (10)Molar Refractivity: 37.249 cm3; (11)Molar Volume: 139.612 cm3; (12)Surface Tension: 35.135 dyne/cm; (13)Density: 1.147 g/cm3; (14)Flash Point: 136.967 °C; (15)Enthalpy of Vaporization: 65.847 kJ/mol; (16)Boiling Point: 325.996 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:O=C1OCC(CC)(CO)CO1
2. InChI:InChI=1/C7H12O4/c1-2-7(3-8)4-10-6(9)11-5-7/h8H,2-5H2,1H3
3. InChIKey:ULLQSQVSYJHWHX-UHFFFAOYAA
4. Std. InChI:InChI=1S/C7H12O4/c1-2-7(3-8)4-10-6(9)11-5-7/h8H,2-5H2,1H3
5. Std. InChIKey:ULLQSQVSYJHWHX-UHFFFAOYSA-N