Cas no 61012-47-3 (CIS-13,16-DOCOSADIENOIC ACID METHYL ESTER)

CIS-13,16-DOCOSADIENOIC ACID METHYL ESTER is a methyl ester derivative of a long-chain unsaturated fatty acid, characterized by cis double bonds at the 13th and 16th carbon positions. This compound is primarily utilized in organic synthesis, lipid research, and as a reference standard in analytical chemistry. Its well-defined structure and purity make it suitable for studying lipid metabolism, membrane dynamics, and enzymatic reactions involving fatty acid derivatives. The esterified form enhances solubility in organic solvents, facilitating its use in laboratory applications. Its stability and specificity render it valuable for precise biochemical and industrial research purposes.
CIS-13,16-DOCOSADIENOIC ACID METHYL ESTER structure
61012-47-3 structure
Product Name:CIS-13,16-DOCOSADIENOIC ACID METHYL ESTER
CAS No:61012-47-3
MF:C23H42O2
MW:350.578387737274
CID:823024
PubChem ID:15748573
Update Time:2025-06-07

CIS-13,16-DOCOSADIENOIC ACID METHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • CIS-13,16-DOCOSADIENOIC ACID METHYL ESTER
    • METHYL 13-CIS,16-CIS-DOCOSADIENOATE
    • Methyl 13-cis,16-cis-docosadienoate1000μg
    • Methyl cis-13,16-docosadienoate
    • DTXSID201269461
    • Docosadienoic Acid methyl ester
    • cis-13,16-Docosadienoic acid methyl ester, >=98%
    • HY-134056
    • METHYL (13Z,16Z)-DOCOSA-13,16-DIENOATE
    • (13Z,16Z)-Methyldocosa-13,16-dienoate
    • Methyl cis-13,16-docosadienoate Solution in Hexane, 1000ug/mL
    • G78249
    • Methyl 13,16-docosadienoate
    • 13,16-Docosadienoic acid, methyl ester, (Z,Z)-; cis-13,16-Docosadienoic acid methyl ester; 13,16-Docosadienoic acid, methyl ester, (13Z,16Z)-
    • CS-0137746
    • 61012-47-3
    • (13Z,16Z)-Methyl docosa-13,16-dienoate
    • 1ST1870-1000H
    • cis-13,16-Docosadienoic acid-methyl ester
    • MDL: MFCD00673447
    • Inchi: 1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11H,3-6,9,12-22H2,1-2H3/b8-7-,11-10-
    • InChI Key: UPIRHFZFPVEDCF-NQLNTKRDSA-N
    • SMILES: O(C)C(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O

Computed Properties

  • Exact Mass: 350.31800
  • Monoisotopic Mass: 350.318480578g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 19
  • Complexity: 331
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 0.878±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 425.1±14.0 oC (760 Torr),
  • Flash Point: 88.9±18.5 oC,
  • Solubility: Insuluble (1.3E-4 g/L) (25 oC),
  • PSA: 26.30000
  • LogP: 7.53330

CIS-13,16-DOCOSADIENOIC ACID METHYL ESTER Security Information

  • WGK Germany:3

CIS-13,16-DOCOSADIENOIC ACID METHYL ESTER Customs Data

  • HS CODE:2916190090
  • Customs Data:

    China Customs Code:

    2916190090

    Overview:

    2916190090 Other unsaturated acyclic monocarboxylic acids(Including its anhydride\Acyl halide,Peroxides and peroxyacids and their derivatives).Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

CIS-13,16-DOCOSADIENOIC ACID METHYL ESTER Pricemore >>

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