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    Technical details about Thyme Oil, learn more about the structure, uses, toxicity, action, side effects and more

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    Thyme Oil

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    MARKET PLACE

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 8007-46-3, 3,7-dimethylocta-1,6-dien-3-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;5-methyl-2-propan-2-ylphenol
    Molecular Formula
    C50H82O4
    Molecular Weight
    747.2  g/mol
    InChI Key
    VOHUWOUGEDDNDQ-UHFFFAOYSA-N
    Thyme Oil is the essential oil of Thymus vulgaris. Thyme oil is used for its antibiotic and antifungal activities.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,7-dimethylocta-1,6-dien-3-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;5-methyl-2-propan-2-ylphenol
    2.1.2 InChI
    InChI=1S/2C10H18O.C10H14O.C10H18O.C10H14/c1-7(2)10-5-4-9(3,11)8(10)6-10;1-8-4-6-9(7-5-8)10(2,3)11;1-7(2)9-5-4-8(3)6-10(9)11;1-5-10(4,11)8-6-7-9(2)3;1-8(2)10-6-4-9(3)5-7-10/h7-8,11H,4-6H2,1-3H3;4,9,11H,5-7H2,1-3H3;4-7,11H,1-3H3;5,7,11H,1,6,8H2,2-4H3;4-8H,1-3H3
    2.1.3 InChI Key
    VOHUWOUGEDDNDQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CCC(CC1)C(C)(C)O.CC1=CC=C(C=C1)C(C)C.CC1=CC(=C(C=C1)C(C)C)O.CC(C)C12CCC(C1C2)(C)O.CC(=CCCC(C)(C=C)O)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Oleum Thymi

    2. Oleum Thymi Vulgaris

    3. Thymi Aetheroleum

    4. Thymus Vulgaris Oil

    2.2.2 Depositor-Supplied Synonyms

    1. 8007-46-3

    2. 3,7-dimethylocta-1,6-dien-3-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;5-methyl-2-propan-2-ylphenol

    2.3 Create Date
    2006-06-06
    3 Chemical and Physical Properties
    Molecular Weight 747.2 g/mol
    Molecular Formula C50H82O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass746.62131109 g/mol
    Monoisotopic Mass746.62131109 g/mol
    Topological Polar Surface Area80.9 Ų
    Heavy Atom Count54
    Formal Charge0
    Complexity716
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count5
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5
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