4E,7Z-Tridecadienyl acetate

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  • Identifiers

    CAS number
    61389-12-6

    Molecular formula
    C15H26O2

    SMILES
    CCCCC/C=C\C/C=C/CCCOC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 72.75%
    Fruity 68.4%
    Waxy 53.77%
    Oily 51.2%
    Citrus 48.06%
    Pear 37.68%
    Melon 36.42%
    Herbal 36.18%
    Fresh 35.32%
    Green 35.05%

     

    Flavor
    Waxy 25.08%
    Floral 24.72%
    Melon 23.49%
    Fatty 22.54%
    Citrus 21.42%
    Oily 21.2%
    Fresh 20.65%
    Honeydew 20.32%
    Low 19.93%
    Diterpene 19.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.09 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    288°C

    Flash point

    • 142.53 ˚C est.

  • Synonyms

    • 4E,7Z-Tridecadienyl acetate
    • (E,Z)-Trideca-4,7-dien-1-yl acetate
    • (E,Z)-4,7-tridecadienyl acetate
    • (4E,7Z)-TRIDECA-4,7-DIEN-1-YL ACETATE
    • [(4E,7Z)-trideca-4,7-dienyl] acetate
    • 61389-12-6
    • 4,7-Tridecadien-1-ol, acetate, (4Z,7E)-
    • (E,Z)-4,7-Tridecenyl acetate
    • 4,7-Tridecadien-1-ol, 1-acetate, (4Z,7E)-
    • EINECS 262-757-5
    • 4,7-Tridecadien-1-ol, acetate, (E,Z)-
    • orb2563895
    • SCHEMBL1301550
    • CHEBI:184437
    • LELQZCNRZHLYFG-QEFCTBRHSA-N
    • DTXSID901273160
    • LMFA07010269
    • AKOS015959090
    • HY-W751431
    • DB-215145
    • CS-0795806
    • 4,7-Tridecadien-1-ol, 1-acetate, (4E,7Z)-
    • (Z,E)-Trideca-4,7-Dien-1-Yl Acetate CAS 57981-60-9
    • 61389-12-6

  • Applications

    4E,7Z-Tridecadienyl acetate (CAS 61389-12-6) is a long-chain ester with two double bonds, commonly used as a fragrance ingredient and odor fixative in the fragrance and cosmetics sector. It is often employed as a fragrance component in perfumery and personal care products, while also serving as a fixative to extend the fragrance life of lighter notes. It may also act as a precursor or intermediate in the synthesis of other fragrance compounds within formulation workflows. Additionally, household products and air fresheners may include it as an aroma contributor, subject to local regulations and ingredient limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 945.17
    methanol 875.11
    isopropanol 699.93
    water 0.03
    ethyl acetate 756.09
    n-propanol 699.61
    acetone 1051.06
    n-butanol 642.78
    acetonitrile 453.54
    DMF 772.81
    toluene 340.51
    isobutanol 485.73
    1,4-dioxane 1206.76
    methyl acetate 518.47
    THF 1910.4
    2-butanone 807.11
    n-pentanol 577.01
    sec-butanol 648.96
    n-hexane 206.2
    ethylene glycol 51.08
    NMP 650.37
    cyclohexane 305.23
    DMSO 1422.62
    n-butyl acetate 619.21
    n-octanol 174.95
    chloroform 1578.13
    n-propyl acetate 621.31
    acetic acid 387.54
    dichloromethane 1562.93
    cyclohexanone 1166.0
    propylene glycol 156.26
    isopropyl acetate 555.05
    DMAc 818.91
    2-ethoxyethanol 698.78
    isopentanol 571.16
    n-heptane 76.83
    ethyl formate 279.97
    1,2-dichloroethane 1140.19
    n-hexanol 485.29
    2-methoxyethanol 862.22
    isobutyl acetate 411.84
    tetrachloromethane 223.14
    n-pentyl acetate 364.68
    transcutol 2455.07
    n-heptanol 164.89
    ethylbenzene 207.55
    MIBK 516.67
    2-propoxyethanol 700.04
    tert-butanol 897.09
    MTBE 1055.1
    2-butoxyethanol 347.07
    propionic acid 312.35
    o-xylene 219.17
    formic acid 73.7
    diethyl ether 1239.17
    m-xylene 235.34
    p-xylene 247.94
    chlorobenzene 390.1
    dimethyl carbonate 121.17
    n-octane 25.39
    formamide 116.07
    cyclopentanone 968.86
    2-pentanone 818.9
    anisole 397.91
    cyclopentyl methyl ether 976.05
    gamma-butyrolactone 788.62
    1-methoxy-2-propanol 720.74
    pyridine 842.86
    3-pentanone 528.0
    furfural 574.98
    n-dodecane 17.99
    diethylene glycol 325.67
    diisopropyl ether 288.03
    tert-amyl alcohol 744.8
    acetylacetone 687.11
    n-hexadecane 21.32
    acetophenone 351.43
    methyl propionate 460.9
    isopentyl acetate 568.52
    trichloroethylene 1451.59
    n-nonanol 164.22
    cyclohexanol 653.19
    benzyl alcohol 302.23
    2-ethylhexanol 315.87
    isooctanol 160.03
    dipropyl ether 521.25
    1,2-dichlorobenzene 355.53
    ethyl lactate 195.83
    propylene carbonate 416.97
    n-methylformamide 262.81
    2-pentanol 487.21
    n-pentane 111.9
    1-propoxy-2-propanol 569.45
    1-methoxy-2-propyl acetate 534.81
    2-(2-methoxypropoxy) propanol 412.27
    mesitylene 162.0
    ε-caprolactone 837.26
    p-cymene 119.55
    epichlorohydrin 1201.48
    1,1,1-trichloroethane 877.44
    2-aminoethanol 211.5
    morpholine-4-carbaldehyde 703.15
    sulfolane 1022.46
    2,2,4-trimethylpentane 59.95
    2-methyltetrahydrofuran 1454.88
    n-hexyl acetate 469.06
    isooctane 44.53
    2-(2-butoxyethoxy)ethanol 565.5
    sec-butyl acetate 449.35
    tert-butyl acetate 617.6
    decalin 113.51
    glycerin 169.73
    diglyme 1025.64
    acrylic acid 179.51
    isopropyl myristate 175.45
    n-butyric acid 622.53
    acetyl acetate 353.98
    di(2-ethylhexyl) phthalate 155.89
    ethyl propionate 478.74
    nitromethane 586.19
    1,2-diethoxyethane 876.8
    benzonitrile 341.83
    trioctyl phosphate 107.78
    1-bromopropane 935.77
    gamma-valerolactone 1081.42
    n-decanol 115.69
    triethyl phosphate 189.16
    4-methyl-2-pentanol 256.46
    propionitrile 421.51
    vinylene carbonate 323.29
    1,1,2-trichlorotrifluoroethane 673.51
    DMS 293.57
    cumene 140.92
    2-octanol 128.25
    2-hexanone 668.69
    octyl acetate 207.03
    limonene 235.25
    1,2-dimethoxyethane 1164.32
    ethyl orthosilicate 201.88
    tributyl phosphate 153.51
    diacetone alcohol 539.14
    N,N-dimethylaniline 277.45
    acrylonitrile 350.2
    aniline 381.09
    1,3-propanediol 346.84
    bromobenzene 461.9
    dibromomethane 1154.65
    1,1,2,2-tetrachloroethane 1407.68
    2-methyl-cyclohexyl acetate 371.1
    tetrabutyl urea 198.81
    diisobutyl methanol 175.24
    2-phenylethanol 297.24
    styrene 280.96
    dioctyl adipate 277.59
    dimethyl sulfate 213.5
    ethyl butyrate 452.32
    methyl lactate 179.64
    butyl lactate 255.71
    diethyl carbonate 258.22
    propanediol butyl ether 327.01
    triethyl orthoformate 320.5
    p-tert-butyltoluene 117.5
    methyl 4-tert-butylbenzoate 296.25
    morpholine 1665.68
    tert-butylamine 579.38
    n-dodecanol 86.49
    dimethoxymethane 664.29
    ethylene carbonate 304.36
    cyrene 313.24
    2-ethoxyethyl acetate 472.65
    2-ethylhexyl acetate 439.72
    1,2,4-trichlorobenzene 416.41
    4-methylpyridine 776.24
    dibutyl ether 455.7
    2,6-dimethyl-4-heptanol 175.24
    DEF 746.11
    dimethyl isosorbide 636.66
    tetrachloroethylene 862.17
    eugenol 272.15
    triacetin 434.2
    span 80 370.05
    1,4-butanediol 148.9
    1,1-dichloroethane 1019.86
    2-methyl-1-pentanol 504.42
    methyl formate 149.7
    2-methyl-1-butanol 539.57
    n-decane 35.42
    butyronitrile 557.47
    3,7-dimethyl-1-octanol 213.07
    1-chlorooctane 166.66
    1-chlorotetradecane 57.21
    n-nonane 35.87
    undecane 23.79
    tert-butylcyclohexane 90.99
    cyclooctane 72.46
    cyclopentanol 535.0
    tetrahydropyran 1785.77
    tert-amyl methyl ether 687.75
    2,5,8-trioxanonane 702.78
    1-hexene 620.01
    2-isopropoxyethanol 524.98
    2,2,2-trifluoroethanol 76.22
    methyl butyrate 645.45

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction