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84494-72-4

Basic Information
CAS No.: 84494-72-4
Name: CIS-4,7,10,13,16,19-DOCOSAHEXAENOIC ACID ETHYL ESTER
Article Data: 8
Molecular Structure:
Molecular Structure of 84494-72-4 (CIS-4,7,10,13,16,19-DOCOSAHEXAENOIC ACID ETHYL ESTER)
Formula: C24H36O2
Molecular Weight: 356.549
Synonyms: cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl ester;
Density: 0.914 g/cm3
Boiling Point: 443.5 °C at 760 mmHg
Flash Point: 102.1 °C
Safety: 24/25
PSA: 26.30000
LogP: 7.02740
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    84494-72-4

    cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl ester manufacturer high quality

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

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    Shanghai AngewChemCo., Ltd. is an innovative enterprise on fine chemicals and pharmaceuticals. Based on Shanghai R&D center and Hunan chemical manufacturing plant, we offer chemica

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  • cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl ester

  • Casno:

    84494-72-4

    cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl ester

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

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  • Best price/ Ethyl cis-4,7,10,13,16,19-Docosahexaenoate  CAS NO.84494-72-4

  • Casno:

    84494-72-4

    Best price/ Ethyl cis-4,7,10,13,16,19-Docosahexaenoate CAS NO.84494-72-4

    Min.Order: 0

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  • cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl(84494-72-4)

  • Casno:

    84494-72-4

    cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl(84494-72-4)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • Docosahexaenoic Acid Ethyl ester

  • Casno:

    84494-72-4

    Docosahexaenoic Acid Ethyl ester

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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Specification

The 4,7,10,13,16,19-Docosahexaenoicacid, ethyl ester, with the CAS registry number 84494-72-4, is also known as cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl ester. This chemical's molecular formula is C24H36O2 and molecular weight is 356.5414. What's more, both its IUPAC name and systematic name are the same which is called Ethyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate. When you are dealing with this chemical, you should avoid contacting with skin and eyes. It should be kept in a cool and dry place.

Physical properties about 4,7,10,13,16,19-Docosahexaenoicacid, ethyl ester are: (1) ACD/LogP: 7.77; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 7.77; (4) ACD/LogD (pH 7.4): 7.77; (5) ACD/BCF (pH 5.5): 474454.09; (6) ACD/BCF (pH 7.4): 474454.09; (7) ACD/KOC (pH 5.5): 402338.75; (8) ACD/KOC (pH 7.4): 402338.75; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 16; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.503; (14) Molar Refractivity: 115.35 cm3; (15) Molar Volume: 389.8 cm3; (16) Surface Tension: 33 dyne/cm; (17) Density: 0.914 g/cm3; (18) Flash Point: 102.1 °C; (19) Enthalpy of Vaporization: 70.12 kJ/mol; (20) Boiling Point: 443.5 °C at 760 mmHg; (21) Vapour Pressure: 4.6E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
(2) InChI: InChI=1/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5+,9-8+,12-11+,15-14+,18-17+,21-20+
(3) InChIKey: ITNKVODZACVXDS-YATCGRJWBV