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CAS No.: | 13125-74-1 |
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Name: | ETHYL GERANYL ACETONE |
Molecular Structure: | |
Formula: | C14H24O |
Molecular Weight: | 208.344 |
Synonyms: | 6,10-Dimethyldodeca-5,9-diene-2-one; |
Density: | 0.855g/cm3 |
Boiling Point: | 311.3 °C at 760 mmHg |
Flash Point: | 114.7 °C |
PSA: | 17.07000 |
LogP: | 4.43840 |
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The 5,9-Dodecadien-2-one,6,10-dimethyl-, with CAS registry number 13125-74-1, has the systematic name of (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one. Besides this, it is also called Ethyl geranyl acetone. And the chemical formula of this chemical is C14H24O.
Physical properties of 5,9-Dodecadien-2-one,6,10-dimethyl-: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.46; (8)Molar Refractivity: 66.73 cm3; (9)Molar Volume: 243.5 cm3; (10)Polarizability: 26.45×10-24cm3; (11)Surface Tension: 28.1 dyne/cm; (12)Density: 0.855 g/cm3; (13)Flash Point: 114.7 °C; (14)Enthalpy of Vaporization: 55.22 kJ/mol; (15)Boiling Point: 311.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000568 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC/C=C(/CC/C=C(\C)CC)C)C
(2)InChI: InChI=1/C14H24O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h8,10H,5-7,9,11H2,1-4H3/b12-8+,13-10+
(3)InChIKey: HSRQHSFPIKREMB-SDCOAONHBQ
(4)Std. InChI: InChI=1S/C14H24O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h8,10H,5-7,9,11H2,1-4H3/b12-8+,13-10+
(5)Std. InChIKey: HSRQHSFPIKREMB-SDCOAONHSA-N