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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

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    [{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q1","strtotime":1646332200,"product":"TRANS-3-HEXENYL ACETATE - ORGANIC CHEMICAL [ FOR MFG OF INDL FRAG COMPUNDING ONLY ]","address":"PLOT NO. 25, 26 AND 46, IIND CROSS ANEKAL TALUK","city":"Bengaluru","supplier":"BEDOUKIAN RESEARCH","supplierCountry":"UNITED STATES","foreign_port":"NA","customer":"GIVAUDAN INDIA PRIVATE ","customerCountry":"INDIA","quantity":"1.00","actualQuantity":"1","unit":"KGS","unitRateFc":"885","totalValueFC":"986.6","currency":"USD","unitRateINR":"75201.2","date":"04-Mar-2022","totalValueINR":"75201.23","totalValueInUsd":"986.6","indian_port":"BANGALORE AIR","hs_no":"29153999","bill_no":"7736676","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"PLOT NO. 25, 26 AND 46, IIND CROSS ANEKAL TALUK"}]
    04-Mar-2022
    04-Mar-2022
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