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23068-87-3

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Basic Information
CAS No.: 23068-87-3
Name: 4,4-Dimethoxybutan-1-ol
Molecular Structure:
Molecular Structure of 23068-87-3 (4,4-Dimethoxybutan-1-ol)
Formula: C6H14O3
Molecular Weight: 134.175
Synonyms: 4,4-dimethoxybutan-1-ol;4,4-Dimethoxy-1-butanol
EINECS: 245-409-7
Density: 0.97 g/cm3
Boiling Point: 180.9 °C at 760 mmHg
Flash Point: 63.2 °C
PSA: 38.69000
LogP: 0.37780
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Specification

The 4,4-Dimethoxybutan-1-ol, with the CAS registry number of 23068-87-3, is also known as 4,4-Dimethoxy-1-butanol. Its EINECS registry number is 245-409-7. This chemical's molecular formula is C6H14O3 and molecular weight is 134.17356. What's more, its IUPAC name is 4,4-Dimethoxybutan-1-ol.

Physical properties about the 4,4-Dimethoxybutan-1-ol are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.29; (8)ACD/KOC (pH 7.4): 17.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 34.83 cm3; (15)Molar Volume: 138.1 cm3; (16)Surface Tension: 30.3 dyne/cm; (17)Density: 0.97 g/cm3; (18)Flash Point: 63.2 °C; (19)Enthalpy of Vaporization: 48.56 kJ/mol; (20)Boiling Point: 180.9 °C at 760 mmHg; (21)Vapour Pressure: 0.258 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCCC(OC)OC
(2) InChI: InChI=1/C6H14O3/c1-8-6(9-2)4-3-5-7/h6-7H,3-5H2,1-2H3
(3) InChIKey: DDPMQWOBGOWNKA-UHFFFAOYAU