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1,3-Dioxolane-2-butanal (16776-90-2)

Identification
Name:1,3-Dioxolane-2-butanal
Synonyms:1,3-Dioxolane-2-butyraldehyde(8CI); 2-(3-Formylpropyl)-1,3-dioxolane; 2-(4-Oxobutyl)-1,3-dioxolane;Glutaraldehyde cyclic ethylene acetal; Glutaraldehyde monoethylene acetal;Glutaric dialdehyde monoethyleneglycol acetal
CAS:16776-90-2
Molecular Formula: C7H12 O3
Molecular Weight: 0
InChI: InChI=1/C7H12O3/c8-4-2-1-3-7-9-5-6-10-7/h4,7H,1-3,5-6H2
Molecular Structure: (C7H12O3) 1,3-Dioxolane-2-butyraldehyde(8CI); 2-(3-Formylpropyl)-1,3-dioxolane; 2-(4-Oxobutyl)-1,3-dioxolane;G...
Properties
Flash Point: 76.926°C
Boiling Point: 219.636°C at 760 mmHg
Density:1.039g/cm3
Refractive index:1.43
Specification:

The Glutaraldehydemonoacetal with the CAS number 16776-90-2 is also called 2-(3-Formylpropyl)-1,3-dioxolane. The systematic name is 4-(1,3-dioxolan-2-yl)butanal. Its molecular formula is C7H12O3. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.43; (8)Molar Refractivity: 35.825 cm3; (9)Molar Volume: 138.707 cm3; (10)Polarizability: 14.202×10-24cm3; (11)Surface Tension: 36.924 dyne/cm; (12)Enthalpy of Vaporization: 45.605 kJ/mol; (13)Vapour Pressure: 0.118 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCCC1OCCO1
(2)InChI: InChI=1/C7H12O3/c8-4-2-1-3-7-9-5-6-10-7/h4,7H,1-3,5-6H2
(3)InChIKey: NEROWICBJPSXRB-UHFFFAOYAX

Flash Point: 76.926°C
Safety Data