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9(Z),11(E)-Octadecadienoic acid

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Name

9(Z),11(E)-Octadecadienoic acid

EINECS N/A
CAS No. 2540-56-9 Density 0.911 g/cm3
PSA 37.30000 LogP 5.88450
Solubility N/A Melting Point N/A
Formula C18H32O2 Boiling Point 381.6 °C at 760 mmHg
Molecular Weight 280.451 Flash Point 278.5 °C
Transport Information UN 1230 3/PG 2 Appearance N/A
Safety 24-36/37-45 Risk Codes 11-39/23/24/25
Molecular Structure Molecular Structure of 2540-56-9 (9(Z),11(E)-OCTADECADIENOIC ACID) Hazard Symbols ToxicT,FlammableF
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;

Article Data 44

9(Z),11(E)-Octadecadienoic acid 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

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