9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-

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  • Identifiers

    CAS number
    31654-77-0

    Molecular formula
    C16H28O2

    SMILES
    C/C=C\C/C=C/CCCCCCCCOC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 64.01%
    Fruity 60.87%
    Waxy 56.07%
    Oily 48.52%
    Citrus 47.21%
    Floral 46.16%
    Rose 39.56%
    Fresh 39.19%
    Sweet 34.51%
    Green 33.63%

     

    Flavor
    Waxy 34.21%
    Floral 33.03%
    Rose 27.34%
    Citrus 26.57%
    Fresh 25.62%
    Melon 23.9%
    Oily 23.87%
    Fatty 22.79%
    Fruity 21.54%
    Green 21.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.78 (neutral)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 147.64 ˚C est.

  • Synonyms

    • 31654-77-0
    • 9,12-Tetradecadien-1-ol, acetate, (9E,12Z)-
    • 7Q008ABC8A
    • DTXSID6035285
    • 9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-
    • cis-9-trans-12-Tetradecadien-1-ol acetate
    • DTXCID40809534
    • 1-Acetoxy-9,12-tetradecadien-1-ol, (9E,12Z)-
    • RefChem:577370
    • 250-753-6
    • (9E,12Z)-tetradeca-9,12-dien-1-yl acetate
    • [(9E,12Z)-tetradeca-9,12-dienyl] acetate
    • 9Z,12E-Tetradecadienyl acetate
    • (9E,12Z)-9,12-Tetradecadien-1-ol acetate
    • Prodenialure B
    • Litlure B
    • Pherodin SL
    • (9Z,12E)-Tetradecadien-1-yl acetate
    • 9,12-Tetradecadien-1-ol, acetate, (9Z,12E)-
    • cis-9,trans-12-Tetradecadienyl acetate
    • (z,e)-9,12-tetradecadien-1-yl acetate
    • PT-1
    • (Z)-9-(E)-12-Tetradecadien-1-ol acetate
    • 9,12-Tetradecadien-1-ol, acetate, (Z,E)-
    • EINECS 250-753-6
    • EPA Pesticide Chemical Code 117203
    • BRN 2210433
    • UNII-7Q008ABC8A
    • 30507-70-1
    • 9,12-Tetradecadien-1-ol, acetate, (9E,12Z)- (9CI); 9,12-Tetradecadien-1-ol, acetate, (Z,E)- (8CI)
    • (Z,E)-Tetradeca-9,12-dienyl acetate
    • starbld0018250
    • AI3-34520
    • 9,12-Tetradecadien-1-yl, acetate, (E,Z)-
    • orb1987536
    • SCHEMBL29351834
    • Z9E12-14Ac
    • CHEBI:234573
    • ZZGJZGSVLNSDPG-WWVFNRLHSA-N
    • Z9,E12-14:Ac
    • Tox21_302010
    • AKOS040744162
    • (E,Z)-Tetradeca-9,12-dienyl acetate
    • NCGC00255494-01
    • (9E,12Z)-1-acetoxy-9,12-tetradecadiene
    • (9E,12Z)-tetradeca-9,12-dienyl acetate
    • CAS-31654-77-0
    • HY-128701
    • CS-0098619
    • (9Z,?12E)?-?Tetradecadien-?1-?yl acetate
    • H55082
    • Q27268698
    • (Z,E)-9,12-Tetradecadien-1-yl acetate 100 microg/mL in Acetonitrile
    • 31654-77-0

  • Applications

    9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)- (CAS 31654-77-0) is commonly used in fragrance and cosmetics as a fragrance ingredient and fixative, contributing subtle green-to-floral notes and improving fragrance longevity. It is often employed as an intermediate in fragrance synthesis and as an odorant component in household products such as cleaners and air fresheners. In industrial manufacturing, it may serve as a building block for specialty polymers or coatings and can act as a processing aid or small-molecule plasticizer in select formulations, subject to regulatory limits and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 792.88
    methanol 659.41
    isopropanol 639.62
    water 0.02
    ethyl acetate 866.48
    n-propanol 632.49
    acetone 1095.0
    n-butanol 614.55
    acetonitrile 411.46
    DMF 779.76
    toluene 385.95
    isobutanol 483.64
    1,4-dioxane 1329.68
    methyl acetate 557.36
    THF 2193.74
    2-butanone 921.78
    n-pentanol 547.39
    sec-butanol 662.65
    n-hexane 235.92
    ethylene glycol 34.3
    NMP 746.25
    cyclohexane 424.44
    DMSO 1502.54
    n-butyl acetate 692.09
    n-octanol 189.48
    chloroform 1730.59
    n-propyl acetate 753.03
    acetic acid 328.92
    dichloromethane 1754.34
    cyclohexanone 1461.9
    propylene glycol 122.33
    isopropyl acetate 655.73
    DMAc 887.0
    2-ethoxyethanol 689.85
    isopentanol 589.71
    n-heptane 100.04
    ethyl formate 302.87
    1,2-dichloroethane 1302.84
    n-hexanol 466.79
    2-methoxyethanol 806.87
    isobutyl acetate 470.44
    tetrachloromethane 268.91
    n-pentyl acetate 462.34
    transcutol 2535.58
    n-heptanol 181.11
    ethylbenzene 248.87
    MIBK 621.77
    2-propoxyethanol 676.12
    tert-butanol 894.94
    MTBE 1183.17
    2-butoxyethanol 377.51
    propionic acid 297.42
    o-xylene 258.64
    formic acid 56.13
    diethyl ether 1359.74
    m-xylene 269.11
    p-xylene 293.01
    chlorobenzene 448.42
    dimethyl carbonate 131.51
    n-octane 31.53
    formamide 100.68
    cyclopentanone 1194.99
    2-pentanone 949.88
    anisole 457.3
    cyclopentyl methyl ether 1176.83
    gamma-butyrolactone 940.73
    1-methoxy-2-propanol 724.69
    pyridine 924.23
    3-pentanone 613.88
    furfural 652.42
    n-dodecane 20.16
    diethylene glycol 287.91
    diisopropyl ether 336.49
    tert-amyl alcohol 781.9
    acetylacetone 792.33
    n-hexadecane 24.19
    acetophenone 406.61
    methyl propionate 514.22
    isopentyl acetate 651.08
    trichloroethylene 1682.88
    n-nonanol 178.6
    cyclohexanol 721.3
    benzyl alcohol 324.62
    2-ethylhexanol 339.65
    isooctanol 181.41
    dipropyl ether 626.6
    1,2-dichlorobenzene 427.73
    ethyl lactate 213.53
    propylene carbonate 491.66
    n-methylformamide 253.23
    2-pentanol 508.06
    n-pentane 128.78
    1-propoxy-2-propanol 592.5
    1-methoxy-2-propyl acetate 609.78
    2-(2-methoxypropoxy) propanol 434.84
    mesitylene 187.95
    ε-caprolactone 1004.97
    p-cymene 140.12
    epichlorohydrin 1414.91
    1,1,1-trichloroethane 1044.06
    2-aminoethanol 159.38
    morpholine-4-carbaldehyde 777.49
    sulfolane 1219.97
    2,2,4-trimethylpentane 68.41
    2-methyltetrahydrofuran 1756.94
    n-hexyl acetate 561.11
    isooctane 50.08
    2-(2-butoxyethoxy)ethanol 607.15
    sec-butyl acetate 543.14
    tert-butyl acetate 733.24
    decalin 142.08
    glycerin 138.54
    diglyme 1143.44
    acrylic acid 163.51
    isopropyl myristate 202.47
    n-butyric acid 659.27
    acetyl acetate 394.52
    di(2-ethylhexyl) phthalate 170.27
    ethyl propionate 585.33
    nitromethane 574.97
    1,2-diethoxyethane 999.87
    benzonitrile 378.9
    trioctyl phosphate 121.01
    1-bromopropane 1059.88
    gamma-valerolactone 1303.29
    n-decanol 123.44
    triethyl phosphate 220.41
    4-methyl-2-pentanol 272.92
    propionitrile 419.19
    vinylene carbonate 366.45
    1,1,2-trichlorotrifluoroethane 733.6
    DMS 319.56
    cumene 164.58
    2-octanol 146.43
    2-hexanone 778.48
    octyl acetate 237.79
    limonene 287.27
    1,2-dimethoxyethane 1265.71
    ethyl orthosilicate 236.11
    tributyl phosphate 169.54
    diacetone alcohol 613.42
    N,N-dimethylaniline 315.26
    acrylonitrile 339.58
    aniline 403.28
    1,3-propanediol 298.15
    bromobenzene 536.81
    dibromomethane 1299.98
    1,1,2,2-tetrachloroethane 1664.38
    2-methyl-cyclohexyl acetate 438.02
    tetrabutyl urea 228.7
    diisobutyl methanol 199.36
    2-phenylethanol 310.49
    styrene 326.42
    dioctyl adipate 322.79
    dimethyl sulfate 237.08
    ethyl butyrate 545.29
    methyl lactate 182.94
    butyl lactate 296.85
    diethyl carbonate 299.08
    propanediol butyl ether 336.5
    triethyl orthoformate 391.15
    p-tert-butyltoluene 137.7
    methyl 4-tert-butylbenzoate 344.25
    morpholine 1869.05
    tert-butylamine 579.33
    n-dodecanol 92.11
    dimethoxymethane 704.63
    ethylene carbonate 362.88
    cyrene 335.07
    2-ethoxyethyl acetate 557.06
    2-ethylhexyl acetate 515.69
    1,2,4-trichlorobenzene 488.31
    4-methylpyridine 857.84
    dibutyl ether 562.48
    2,6-dimethyl-4-heptanol 199.36
    DEF 855.11
    dimethyl isosorbide 725.83
    tetrachloroethylene 1007.02
    eugenol 299.05
    triacetin 496.83
    span 80 399.81
    1,4-butanediol 122.55
    1,1-dichloroethane 1194.83
    2-methyl-1-pentanol 496.42
    methyl formate 148.27
    2-methyl-1-butanol 554.77
    n-decane 42.29
    butyronitrile 590.32
    3,7-dimethyl-1-octanol 234.22
    1-chlorooctane 198.58
    1-chlorotetradecane 64.74
    n-nonane 43.36
    undecane 27.27
    tert-butylcyclohexane 106.42
    cyclooctane 97.29
    cyclopentanol 599.7
    tetrahydropyran 2190.83
    tert-amyl methyl ether 798.37
    2,5,8-trioxanonane 753.16
    1-hexene 659.2
    2-isopropoxyethanol 533.49
    2,2,2-trifluoroethanol 70.52
    methyl butyrate 786.14

    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