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4,4-Diethoxybutan-1-ol

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Name

4,4-Diethoxybutan-1-ol

EINECS N/A
CAS No. 70216-75-0 Density 0.947 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C8H18O3 Boiling Point 219 °C at 760 mmHg
Molecular Weight 162.229 Flash Point 86.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 70216-75-0 (4,4-Diethoxybutan-1-ol) Hazard Symbols N/A
Synonyms

NSC239517;AC1L7R9J;

Article Data 2

4,4-Diethoxybutan-1-ol Specification

The 4,4-Diethoxybutan-1-ol with CAS registry number of 70216-75-0 is also known as AC1L7R9J. The IUPAC name is 4,4-Diethoxybutan-1-ol. In addition, the formula is  and the molecular weight is 162.23.

Other characteristics of the 4,4-Diethoxybutan-1-ol can be summarised as followings: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.428; (8)Molar Refractivity: 44.09 cm3; (9)Molar Volume: 171.1 cm3; (10)Polarizability: 17.48×10-24cm3; (11)Surface Tension: 30.9 dyne/cm; (12)Density: 0.947 g/cm3; (13)Flash Point: 86.2 °C; (14)Enthalpy of Vaporization: 52.96 kJ/mol; (15)Boiling Point: 219 °C at 760 mmHg; (16)Vapour Pressure: 0.0258 mmHg at 25 °C.

You can still convert the following datas into molecular structure: 
1.SMILES: O(CC)C(OCC)CCCO
2.InChI: InChI=1/C8H18O3/c1-3-10-8(11-4-2)6-5-7-9/h8-9H,3-7H2,1-2H3
3.InChIKey: SRTYNRIVGWETHR-UHFFFAOYAP

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