Name: 4-Dodecenal, (4Z)-
SKU: 21944-98-9

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Basic Information

Molecular Structure:
CAS No.:	21944-98-9
Name:	4-Dodecenal, (4Z)-
Article Data:	3

Formula:	C₁₂H₂₂O
Molecular Weight:	182.306
Synonyms:	4-Dodecenal,(Z)- (8CI);Tangerinal;
Density:	0.837 g/cm³
Melting Point:	2°C (estimate)
Boiling Point:	256.3 °C at 760 mmHg
Flash Point:	109 °C
Appearance:	Colourless liquid; Fruity, citrusy aroma
PSA:	17.07000
LogP:	3.88220

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Specification

The 4-Dodecenal, (4Z)- is an organic compound with the formula C₁₂H₂₂O. The systematic name of this chemical is (4Z)-dodec-4-enal. With the CAS registry number 21944-98-9, it is also named as (4Z)-4-Dodecenal. The product's category is Acid Flavor.

Physical properties about 4-Dodecenal, (4Z)- are: (1)ACD/LogP: 4.83; (2)ACD/LogD (pH 5.5): 4.83; (3)ACD/LogD (pH 7.4): 4.83; (4)ACD/BCF (pH 5.5): 2765.3; (5)ACD/BCF (pH 7.4): 2765.3; (6)ACD/KOC (pH 5.5): 10120.33; (7)ACD/KOC (pH 7.4): 10120.33; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.444; (12)Molar Refractivity: 57.88 cm³; (13)Molar Volume: 217.5 cm³; (14)Polarizability: 22.94×10^-24cm³; (15)Surface Tension: 29.1 dyne/cm; (16)Density: 0.837 g/cm³; (17)Flash Point: 109 °C; (18)Enthalpy of Vaporization: 49.38 kJ/mol; (19)Boiling Point: 256.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0155 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCC\C=C/CCCCCCC
(2)InChI: InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3/b9-8-
(3)InChIKey: MMCDSVCBSAMNPL-HJWRWDBZBQ
(4)Std. InChI: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3/b9-8-
(5)Std. InChIKey: MMCDSVCBSAMNPL-HJWRWDBZSA-N