Octanal diethyl acetal supplier

Name
1,1-diethoxyoctane
EINECS 259-385-0
CAS No. 54889-48-4
Article Data12
CAS DataBase
Density 0.844 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₆O₂
Boiling Point 226.2 °C at 760 mmHg
Molecular Weight 202.337
Flash Point 58 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Octanal,diethyl acetal (7CI);1,1-Diethoxyoctane;NSC 408319;
PSA 18.46000
LogP 3.74600

Octanal diethyl acetal Specification

The CAS register number of Octanal diethyl acetal is 54889-48-4. It also can be called as octane, 1,1-diethoxy- and the systematic name about this chemical is 1,1-diethoxyoctane. Its molecular formula is C₁₂H₂₆O₂ and molecular weight is 202.33364.

Physical properties about Octanal diethyl acetal are: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 1156.23; (6)ACD/BCF (pH 7.4): 1156.23; (7)ACD/KOC (pH 5.5): 5421.59; (8)ACD/KOC (pH 7.4): 5421.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 18.46Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 61.09 cm³; (15)Molar Volume: 239.7 cm³; (16)Surface Tension: 26.9 dyne/cm; (17)Density: 0.844 g/cm³; (18)Flash Point: 58 °C; (19)Enthalpy of Vaporization: 44.39 kJ/mol; (20)Boiling Point: 226.2 °C at 760 mmHg; (21)Vapour Pressure: 0.124 mmHg at 25°C.

Uses of Octanal diethyl acetal: It reacts to get 2-ethoxy-nonane. This reaction needs solvent diethyl ether at temperature of -30 °C. The reaction time is 30 minutes. The yield is 93 %.

People can use the following data to convert to the molecule structure.
1.SMILES: O(CC)C(OCC)CCCCCCC
2.InChI: InChI=1/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3
3.InChIKey: BRKIPAWFUDCCOO-UHFFFAOYAS
4.Std. InChI: InChI=1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3

Product Name

1,1-diethoxyoctane

Octanal diethyl acetal Specification

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