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Name |
Heptanal-diethylacetal |
EINECS | 211-707-0 |
CAS No. | 688-82-4 | Density | 0.843 g/cm3 |
PSA | 18.46000 | LogP | 3.35590 |
Solubility | N/A | Melting Point |
75-76oC |
Formula | C11H24O2 | Boiling Point | 206.7 °C at 760 mmHg |
Molecular Weight | 188.31 | Flash Point | 50.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,1-Diethoxyheptane;Heptane, 1,1-diethoxy-;1,1-diethoxy-heptan;1,1-diethoxy-; |
Article Data | 6 |
The CAS register number of Heptanal-diethylacetal is 688-82-4. It also can be called as Heptane, 1,1-diethoxy- and the systematic name about this chemical is 1,1-diethoxyheptane. The molecular formula about this chemical is C11H24O2 and the molecular weight is 188.31.
Physical properties about Heptanal-diethylacetal are: (1)ACD/LogP: 3.80; (2)ACD/LogD (pH 5.5): 3.8; (3)ACD/LogD (pH 7.4): 3.8; (4)ACD/BCF (pH 5.5): 456.27; (5)ACD/BCF (pH 7.4): 456.27; (6)ACD/KOC (pH 5.5): 2786.59; (7)ACD/KOC (pH 7.4): 2786.59; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 56.45 cm3; (13)Molar Volume: 223.2 cm3; (14)Polarizability: 22.38x10-24cm3; (15)Surface Tension: 26.5 dyne/cm; (16)Density: 0.843 g/cm3; (17)Flash Point: 50.4 °C; (18)Enthalpy of Vaporization: 42.49 kJ/mol; (19)Boiling Point: 206.7 °C at 760 mmHg; (20)Vapour Pressure: 0.336 mmHg at 25 °C.
Preparation: this chemical can be prepared by heptanal and ethanol. This reaction will need reagent of hydrochloric acid.
Uses of Heptanal-diethylacetal: it can be used to produce heptanal. This reaction will need reagent of tetraethylammonium iodide, BF3*O(C2H5)2 and solvent of CHCl3. This reaction needs heating. The reaction time is 3 hours. The yield is about 78%.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)C(OCC)CCCCCC
(2)InChI: InChI=1/C11H24O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h11H,4-10H2,1-3H3
(3)InChIKey: UGOCNHASEZIJFQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C11H24O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h11H,4-10H2,1-3H3
(5)Std. InChIKey: UGOCNHASEZIJFQ-UHFFFAOYSA-N