CAS No.21662-16-8,(E,E)-2,4-Dodecadienal Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	21662-16-8
Name:	(E,E)-2,4-Dodecadienal
Article Data:	11

Formula:	C₁₂H₂₀O
Molecular Weight:	180.29
Synonyms:	2,4-Dodecadienal,(E,E)- (8CI);2-trans-4-trans-Dodecadienal;
EINECS:	244-517-1
Density:	0.853 g/cm³
Boiling Point:	274.5 °C at 760 mmHg
Flash Point:	119.4 °C
Solubility:	Insoluble in water; soluble in alcohol.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	17.07000
LogP:	3.65820

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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