cis-6-Dodecenyl acetate

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  • Identifiers

    CAS number
    16974-12-2

    Molecular formula
    C14H26O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.37%
    Fatty 66.83%
    Waxy 66.83%
    Citrus 57.0%
    Floral 51.83%
    Rose 50.02%
    Oily 46.91%
    Fresh 45.83%
    Orange 38.42%
    Herbal 38.12%

     

    Flavor
    Waxy 52.49%
    Floral 45.36%
    Rose 40.48%
    Fruity 34.83%
    Oily 32.75%
    Fresh 32.63%
    Clean 30.35%
    Soapy 29.24%
    Green 27.35%
    Citrus 26.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.82 (neutral)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    278°C

    Flash point

    • 125.94 ˚C est.

  • Synonyms

    • cis-6-Dodecenyl acetate
    • (Z)-6-Dodecenyl acetate
    • (Z)-6-Dodecen-1-ol acetate
    • 6-Dodecen-1-ol, acetate, (Z)-
    • 6-Dodecenyl acetate, (6Z)-
    • CB9NT7V0ZD
    • 16974-12-2
    • 6-Dodecen-1-ol, acetate, (6Z)-
    • cis-6-Dodecen-1-ol acetate
    • cis-6-Dodecen-1-yl acetate
    • UNII-CB9NT7V0ZD
    • AI3-33893
    • (6Z)-DODEC-6-EN-1-YL ACETATE
    • (6Z)-6-dodecenyl acetate
    • SCHEMBL5933833
    • DTXSID3034292
    • LMNJOGUUFQYRPE-FPLPWBNLSA-N
    • (Z)-6-DODECEN-1-YL ACETATE
    • Q27275390
    • 5,5-Dimethyl-3-[(1-phenylethyl)amino]-2-cyclohexene-1-thione
    • 16974-12-2

  • Applications

    cis-6-Dodecenyl acetate, CAS 16974-12-2, is mainly used as a fragrance ingredient and odorant in perfumery and scented products, with the potential to function as a fixative that extends fragrance longevity; it is commonly employed in cosmetics and personal care as a fragrance component in lotions, shampoos, and other products; in household products it provides aroma in air fresheners, cleaners, and laundry products; in the food sector it may be used as a flavor/aroma ingredient where permitted by regulation; in industrial manufacturing it appears in fragrance formulations used for coatings, inks, and other scent-enabled processes; it can also serve as an intermediate in the synthesis of more complex fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1474.31
    methanol 1285.06
    isopropanol 1292.46
    water 0.02
    ethyl acetate 1297.84
    n-propanol 1172.64
    acetone 1818.16
    n-butanol 1099.03
    acetonitrile 789.46
    DMF 1127.25
    toluene 599.21
    isobutanol 880.09
    1,4-dioxane 1927.58
    methyl acetate 855.86
    THF 3005.61
    2-butanone 1368.08
    n-pentanol 938.73
    sec-butanol 1176.36
    n-hexane 563.17
    ethylene glycol 71.55
    NMP 963.92
    cyclohexane 762.46
    DMSO 1866.95
    n-butyl acetate 1060.11
    n-octanol 318.92
    chloroform 2459.91
    n-propyl acetate 1048.99
    acetic acid 572.44
    dichloromethane 2295.06
    cyclohexanone 2004.18
    propylene glycol 222.27
    isopropyl acetate 956.61
    DMAc 1027.71
    2-ethoxyethanol 984.73
    isopentanol 992.11
    n-heptane 193.59
    ethyl formate 477.89
    1,2-dichloroethane 1679.25
    n-hexanol 838.03
    2-methoxyethanol 1225.08
    isobutyl acetate 648.2
    tetrachloromethane 418.24
    n-pentyl acetate 654.24
    transcutol 3142.33
    n-heptanol 293.9
    ethylbenzene 360.49
    MIBK 844.37
    2-propoxyethanol 1060.29
    tert-butanol 1688.63
    MTBE 1898.6
    2-butoxyethanol 544.66
    propionic acid 510.77
    o-xylene 367.38
    formic acid 93.72
    diethyl ether 2166.58
    m-xylene 410.39
    p-xylene 427.43
    chlorobenzene 673.84
    dimethyl carbonate 169.62
    n-octane 60.08
    formamide 153.4
    cyclopentanone 1600.5
    2-pentanone 1381.85
    anisole 598.11
    cyclopentyl methyl ether 1690.53
    gamma-butyrolactone 1286.86
    1-methoxy-2-propanol 1086.86
    pyridine 1371.09
    3-pentanone 841.89
    furfural 880.49
    n-dodecane 35.89
    diethylene glycol 451.37
    diisopropyl ether 542.38
    tert-amyl alcohol 1337.81
    acetylacetone 1047.94
    n-hexadecane 43.27
    acetophenone 521.13
    methyl propionate 728.64
    isopentyl acetate 934.69
    trichloroethylene 2212.72
    n-nonanol 288.23
    cyclohexanol 1210.56
    benzyl alcohol 459.98
    2-ethylhexanol 570.24
    isooctanol 282.34
    dipropyl ether 965.75
    1,2-dichlorobenzene 591.25
    ethyl lactate 296.8
    propylene carbonate 667.59
    n-methylformamide 408.4
    2-pentanol 911.65
    n-pentane 300.09
    1-propoxy-2-propanol 910.02
    1-methoxy-2-propyl acetate 810.41
    2-(2-methoxypropoxy) propanol 567.18
    mesitylene 275.45
    ε-caprolactone 1406.14
    p-cymene 200.6
    epichlorohydrin 1790.35
    1,1,1-trichloroethane 1557.79
    2-aminoethanol 310.36
    morpholine-4-carbaldehyde 1020.45
    sulfolane 1515.14
    2,2,4-trimethylpentane 117.07
    2-methyltetrahydrofuran 2557.94
    n-hexyl acetate 801.52
    isooctane 88.67
    2-(2-butoxyethoxy)ethanol 818.47
    sec-butyl acetate 739.32
    tert-butyl acetate 994.11
    decalin 228.68
    glycerin 226.78
    diglyme 1415.86
    acrylic acid 283.54
    isopropyl myristate 291.21
    n-butyric acid 1080.54
    acetyl acetate 561.71
    di(2-ethylhexyl) phthalate 234.38
    ethyl propionate 805.34
    nitromethane 867.32
    1,2-diethoxyethane 1357.28
    benzonitrile 569.77
    trioctyl phosphate 169.23
    1-bromopropane 1575.48
    gamma-valerolactone 1736.14
    n-decanol 198.27
    triethyl phosphate 279.09
    4-methyl-2-pentanol 457.82
    propionitrile 766.07
    vinylene carbonate 517.43
    1,1,2-trichlorotrifluoroethane 977.16
    DMS 435.78
    cumene 233.42
    2-octanol 246.3
    2-hexanone 1119.96
    octyl acetate 346.11
    limonene 408.49
    1,2-dimethoxyethane 1737.78
    ethyl orthosilicate 299.66
    tributyl phosphate 240.3
    diacetone alcohol 834.96
    N,N-dimethylaniline 407.29
    acrylonitrile 615.65
    aniline 641.86
    1,3-propanediol 510.35
    bromobenzene 796.51
    dibromomethane 1814.12
    1,1,2,2-tetrachloroethane 2143.4
    2-methyl-cyclohexyl acetate 571.98
    tetrabutyl urea 302.44
    diisobutyl methanol 307.51
    2-phenylethanol 452.42
    styrene 475.62
    dioctyl adipate 433.98
    dimethyl sulfate 284.49
    ethyl butyrate 753.62
    methyl lactate 255.64
    butyl lactate 413.84
    diethyl carbonate 405.32
    propanediol butyl ether 490.53
    triethyl orthoformate 506.86
    p-tert-butyltoluene 199.24
    methyl 4-tert-butylbenzoate 432.69
    morpholine 2686.0
    tert-butylamine 1116.95
    n-dodecanol 148.41
    dimethoxymethane 920.11
    ethylene carbonate 506.89
    cyrene 419.96
    2-ethoxyethyl acetate 729.76
    2-ethylhexyl acetate 738.68
    1,2,4-trichlorobenzene 665.13
    4-methylpyridine 1287.56
    dibutyl ether 831.93
    2,6-dimethyl-4-heptanol 307.51
    DEF 1192.45
    dimethyl isosorbide 877.08
    tetrachloroethylene 1352.69
    eugenol 388.44
    triacetin 649.16
    span 80 555.6
    1,4-butanediol 218.68
    1,1-dichloroethane 1784.11
    2-methyl-1-pentanol 808.15
    methyl formate 231.57
    2-methyl-1-butanol 920.93
    n-decane 73.87
    butyronitrile 1030.38
    3,7-dimethyl-1-octanol 372.36
    1-chlorooctane 317.76
    1-chlorotetradecane 104.74
    n-nonane 79.83
    undecane 48.79
    tert-butylcyclohexane 180.26
    cyclooctane 180.94
    cyclopentanol 1019.49
    tetrahydropyran 3270.59
    tert-amyl methyl ether 1189.0
    2,5,8-trioxanonane 943.29
    1-hexene 1341.92
    2-isopropoxyethanol 775.42
    2,2,2-trifluoroethanol 116.2
    methyl butyrate 1081.51

    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