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| CAS No.: | 55774-32-8 |
|---|---|
| Name: | TRANS-7, CIS-9-DODECADIENYL ACETATE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C14H24O2 |
| Molecular Weight: | 224.343 |
| Synonyms: | 7,9-Dodecadien-1-ol,acetate, (E,Z)-;(7Z,9E)-Dodecadienyl acetate;(7Z,9E)-Dodeca-7,9-dien-1-yl acetate; |
| EINECS: | 259-812-0 |
| Density: | 0.896 g/cm3 |
| Boiling Point: | 309.6 °C at 760 mmHg |
| Flash Point: | 105.8 °C |
| Solubility: | 2.0 mg l-1(20 °C, est.) |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 16-26-36 |
| PSA: | 26.30000 |
| LogP: | 4.02240 |
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Specification
The 7,9-Dodecadien-1-ol,acetate, (7Z,9E)-, with the CAS registry number 55774-32-8, is also known as (7Z,9E)-Dodecadienyl acetate. This chemical's molecular formula is C14H24O2 and molecular weight is 224.34. What's more, its systematic name is (7Z,9E)-Dodeca-7,9-dien-1-yl acetate.
Physical properties of 6-Hydroxyisoquinolin-1(2H)-one are: (1)ACD/LogP: 4.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.99; (4)ACD/LogD (pH 7.4): 4.99; (5)ACD/BCF (pH 5.5): 3620.93; (6)ACD/BCF (pH 7.4): 3620.93; (7)ACD/KOC (pH 5.5): 12274.32; (8)ACD/KOC (pH 7.4): 12274.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 68.79 cm3; (15)Molar Volume: 250.3 cm3; (16)Polarizability: 27.27×10-24 cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 0.896 g/cm3; (19)Flash Point: 105.8 °C; (20)Enthalpy of Vaporization: 55.03 kJ/mol; (21)Boiling Point: 309.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000635 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC=CC=CCCCCCCOC(=O)C
(2)InChI: InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4+,7-6-
(3)InChIKey: LLRZUAWETKPZJO-DEQVHDEQSA-N