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| CAS No.: | 2540-56-9 |
|---|---|
| Name: | 9(Z),11(E)-OCTADECADIENOIC ACID |
| Article Data: | 44 |
| Molecular Structure: | |
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| Formula: | C18H32O2 |
| Molecular Weight: | 280.451 |
| Synonyms: | 9,11-Octadecadienoicacid, (E,Z)- (8CI);(9Z,11E)-9,11-Octadecadienoic acid;Bovinicacid;9Z,11E-Octadecadienoic acid;9-cis,11-trans-Octadecadienoic acid;9-cis,11-trans-Linoleicacid;cis-9,trans-11 Conjugated linoleic acid;cis-9,trans-11-Octadecadienoic acid;trans-11-cis-9-Octadecadienoic acid;Rumenic acid;(9Z,11E)-Octadeca-9,11-dienoic acid; |
| Density: | 0.911 g/cm3 |
| Boiling Point: | 381.6 °C at 760 mmHg |
| Flash Point: | 278.5 °C |
| Hazard Symbols: |
 T, F
|
| Risk Codes: | 11-39/23/24/25 |
| Safety: | 24-36/37-45 |
| Transport Information: | UN 1230 3/PG 2 |
| PSA: | 37.30000 |
| LogP: | 5.88450 |
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Specification
The 9,11-Octadecadienoic acid, (9Z,11E)-, with the CAS registry number 2540-56-9, is also known as 9-cis,11-trans-Octadecadienoic acid. This chemical's molecular formula is C18H32O2 and molecular weight is 280.45. What's more, its systematic name is (9Z,11E)-octadeca-9,11-dienoic acid. Its storage temperature is -20°C.
Physical properties of 9,11-Octadecadienoic acid, (9Z,11E)- are: (1)ACD/LogP: 7.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.38; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 26805.8; (6)ACD/BCF (pH 7.4): 429.81; (7)ACD/KOC (pH 5.5): 30508.56; (8)ACD/KOC (pH 7.4): 489.18; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 87.12 cm3; (15)Molar Volume: 307.5 cm3; (16)Polarizability: 34.53×10-24cm3; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 0.911 g/cm3; (19)Flash Point: 278.5 °C; (20)Enthalpy of Vaporization: 69.16 kJ/mol; (21)Boiling Point: 381.6 °C at 760 mmHg; (22)Vapour Pressure: 7.01E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is toxic as it has a danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. When using it, you should avoid contact with skin and must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCC/C=C\C=C\CCCCCC
(2)Std. InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-
(3)Std. InChIKey: JBYXPOFIGCOSSB-GOJKSUSPSA-N