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    Chemistry

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    Also known as: 9003-07-0, 12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic acid, Oxiranedodecanoic acid, 3-octyl-, cis-, Cis-13,14-epoxydocosanoic acid, 2-oxiranedodecanoic acid, 3-octyl-, (2r,3s)-rel-, N-fmoc-5-aminolevulinicacid
    Molecular Formula
    C22H42O3
    Molecular Weight
    354.6  g/mol
    InChI Key
    NSYDMBURIUSUDH-RTWAWAEBSA-N
    Polypropylene
    Propylene or propene polymers. Thermoplastics that can be extruded into fibers, films or solid forms. They are used as a copolymer in plastics, especially polyethylene. The fibers are used for fabrics, filters and surgical sutures.
    1 2D Structure

    Polypropylene

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    12-[(2S,3R)-3-octyloxiran-2-yl]dodecanoic acid
    2.1.2 InChI
    InChI=1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)/t20-,21+/m1/s1
    2.1.3 InChI Key
    NSYDMBURIUSUDH-RTWAWAEBSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC1C(O1)CCCCCCCCCCCC(=O)O
    2.1.5 Isomeric SMILES
    CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCCCCCC(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Celgard

    2. Hostalen

    3. Marlex

    4. Marlex Polypropylene

    5. Polymers, Propene

    6. Polymers, Propylene

    7. Polypro

    8. Polypropylene, Marlex

    9. Polypropylenes

    10. Prolene

    11. Propene Polymers

    12. Propylene Polymers

    2.2.2 Depositor-Supplied Synonyms

    1. 9003-07-0

    2. 12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic Acid

    3. Oxiranedodecanoic Acid, 3-octyl-, Cis-

    4. Cis-13,14-epoxydocosanoic Acid

    5. 2-oxiranedodecanoic Acid, 3-octyl-, (2r,3s)-rel-

    6. N-fmoc-5-aminolevulinicacid

    7. Oxiranedodecanoic Acid, 3-octyl-, (2r,3s)-rel-

    8. Zinc111391968

    9. 3beta-octyloxirane-2beta-dodecanoic Acid

    10. 12-(3-octyl-2-oxiranyl)dodecanoic Acid #

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 354.6 g/mol
    Molecular Formula C22H42O3
    XLogP38.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count19
    Exact Mass354.31339520 g/mol
    Monoisotopic Mass354.31339520 g/mol
    Topological Polar Surface Area49.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity316
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Absorption, Distribution and Excretion

    (14)C-LABELLED SAMPLES OF POLYPROPYLENES...FRACTIONS OF HIGH POLYMER SOL IN VEGETABLE OIL, HAVE BEEN ADMIN ORALLY TO RATS. NO TRACE OF THESE MATERIALS WAS FOUND IN BODY, AMT ADMIN BEING COMPLETELY EXCRETED. IT MAY BE CONCLUDED THAT INSOL FRACTIONS OF POLYPROPYLENE PASS UNCHANGED THROUGH ORGANISM.

    Grant, W. M. Toxicology of the Eye. 2nd ed. Springfield, Illinois: Charles C. Thomas, 1974., p. 50

    API Reference Price

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    02-Jan-2021
    28-Aug-2024
    KGS
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