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(E,E)-2,4-Dodecadienal

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Name

(E,E)-2,4-Dodecadienal

EINECS 244-517-1
CAS No. 21662-16-8 Density 0.853 g/cm3
PSA 17.07000 LogP 3.65820
Solubility Insoluble in water; soluble in alcohol. Melting Point N/A
Formula C12H20O Boiling Point 274.5 °C at 760 mmHg
Molecular Weight 180.29 Flash Point 119.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 21662-16-8 ((E,E)-2,4-Dodecadienal) Hazard Symbols IrritantXi
Synonyms

2,4-Dodecadienal,(E,E)- (8CI);2-trans-4-trans-Dodecadienal;

Article Data 11

(E,E)-2,4-Dodecadienal Specification

The (E,E)-2,4-Dodecadienal with the CAS number 21662-16-8 is also called 2-trans-4-trans-Dodecadienal. Both the systematic name and IUPAC name are (2E,4E)-dodeca-2,4-dienal. Its molecular formula is C12H20O. The EINECS registry number is 244-517-1. This chemical belongs to the following product categories: (1)Aldehyde Flavor; (2)Aldehydes; (3)C10 to C21; (4)Carbonyl Compounds.

The properties of the (E,E)-2,4-Dodecadienal are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.461; (8)Molar Refractivity: 57.94 cm3; (9)Molar Volume: 211.1 cm3; (10)Polarizability: 22.97×10-24cm3; (11)Surface Tension: 29.6 dyne/cm; (12)Enthalpy of Vaporization: 51.29 kJ/mol; (13)Vapour Pressure: 0.00538 mmHg at 25°C.

Preparation: This chemical can be prepared by (E)-4-(diethoxyphosphoryl)-2-butenal. This reaction needs reagent cyclohexylamine, LDA and solvent tetrahydrofuran at temperature of 0-25 °C. The reaction time is 3.0 hours. The yield is 54%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C=C\C=C\CCCCCCC
(2)InChI: InChI=1/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+
(3)InChIKey: QKTZBZWNADPFOL-BNFZFUHLBY

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