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    Chemistry

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    Also known as: 3681-82-1, [(e)-hex-3-enyl] acetate, 3e-hexenyl acetate, 3-hexen-1-ol, acetate, (e)-, (e)-3-hexen-1-yl acetate, (e)-hex-3-en-1-yl acetate
    Molecular Formula
    C8H14O2
    Molecular Weight
    142.20  g/mol
    InChI Key
    NPFVOOAXDOBMCE-SNAWJCMRSA-N
    FDA UNII
    E556G2EOZD
    Trans-3-Hexenyl Acetate
    (3E)-3-hexenyl acetate is a natural product found in Acca sellowiana and Daucus carota with data available.
    1 2D Structure

    Trans-3-Hexenyl Acetate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(E)-hex-3-enyl] acetate
    2.1.2 InChI
    InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+
    2.1.3 InChI Key
    NPFVOOAXDOBMCE-SNAWJCMRSA-N
    2.1.4 Canonical SMILES
    CCC=CCCOC(=O)C
    2.1.5 Isomeric SMILES
    CC/C=C/CCOC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    E556G2EOZD
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-hexenyl Acetate

    2. 3-hexenylacetate

    3. Cis-3-hexenyl Acetate

    2.3.2 Depositor-Supplied Synonyms

    1. 3681-82-1

    2. [(e)-hex-3-enyl] Acetate

    3. 3e-hexenyl Acetate

    4. 3-hexen-1-ol, Acetate, (e)-

    5. (e)-3-hexen-1-yl Acetate

    6. (e)-hex-3-en-1-yl Acetate

    7. (e)-3-hexenyl Acetate

    8. (3e)-3-hexenyl Acetate

    9. (e)-hex-3-enyl Acetate

    10. 1708-82-3

    11. 3-hexen-1-ol, 1-acetate

    12. (e)-3-hexen-1-ol Acetate

    13. 3-hexenyl Acetate, (3e)-

    14. 3-hexen-1-ol, 1-acetate, (3e)-

    15. (3e)-hexenyl Acetate

    16. (e)-3-hexenol Acetate

    17. (e)-hex-3-enol Acetate

    18. E556g2eozd

    19. Trans-3-hexen-1-ol, Acetate

    20. 3-hexenylacetate

    21. Hex-3-enyl Acetate

    22. 3-hexen-1-ol,1-acetate, (3e)-

    23. 3-hexenyl Acetate

    24. 3-hexen-1-ol, Acetate, (3e)-

    25. Unii-e556g2eozd

    26. Einecs 216-965-8

    27. Einecs 222-962-2

    28. T3 Hexenyl Acetate

    29. Hexenyl Acetate (3e-)

    30. Ai3-33358

    31. Hexenyl Acetate Beta Gamma

    32. Acetic Acid 3-hexenyl Ester

    33. Acetate(e)-3-hexen-1-ol

    34. (3e)-3-hexenyl Acetate #

    35. Schembl113310

    36. Schembl316945

    37. Acetate(3e)-3-hexen-1-ol

    38. Fema No. 4413

    39. 1-acetate(3e)-3-hexen-1-ol

    40. Dtxsid00880889

    41. Acetic Acid (e)-3-hexenyl Ester

    42. Chebi:180297

    43. 3-hexenyl Acetate, Trans-

    44. Zinc2038539

    45. Trans-3-hexen-1-ol Acetate

    46. Lmfa07010179

    47. Akos006229485

    48. Trans-3-hexenyl Acetate [fhfi]

    49. Acetic Acid Trans-3-hexenyl Ester

    50. Am806731

    51. Ls-13476

    52. Q27276882

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 142.20 g/mol
    Molecular Formula C8H14O2
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass142.099379685 g/mol
    Monoisotopic Mass142.099379685 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity116
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q3","strtotime":1692297000,"product":"TRANS-3-HEXENYL ACETATE - ORGANIC CHEMICAL [ FOR MANUFACTURING OF INDL FRAG COMPOUNDING ONLY ]","address":"PLOT NO.26,2ND CROSS,JIGANI,INDUST RIAL AREA,JIGANI,ANEKAL TALUK","city":"BANGALORE","supplier":"BEDOUKIAN RESEARCH","supplierCountry":"UNITED STATES","foreign_port":"NA","customer":"GIVAUDAN I PRIVATE LIMITED","customerCountry":"INDIA","quantity":"1.00","actualQuantity":"1","unit":"KGS","unitRateFc":"1385","totalValueFC":"2031.8","currency":"USD","unitRateINR":"166622.9","date":"18-Aug-2023","totalValueINR":"168305.917","totalValueInUsd":"2031.8","indian_port":"BANGALORE AIR","hs_no":"29153999","bill_no":"0","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"PLOT NO.26,2ND CROSS,JIGANI,INDUST RIAL AREA,JIGANI,ANEKAL TALUK"}]
    18-Aug-2023
    18-Aug-2023
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