(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol

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  • Identifiers

    CAS number
    81345-02-0

    Molecular formula
    C12H20O

    SMILES
    CC/C=C\C/C=C\C/C=C\CCO

    Safety labels

  • Odor profile

    Fragrance
    Fatty 67.37%
    Oily 48.48%
    Waxy 47.6%
    Green 46.99%
    Melon 45.34%
    Citrus 42.97%
    Cucumber 39.11%
    Fishy 39.09%
    Fruity 39.05%
    Fresh 38.64%

     

    Flavor
    Melon 24.37%
    Fatty 21.62%
    Honeydew 20.1%
    Pumpkin 19.65%
    Oriental 19.4%
    Biscuit 19.39%
    Cucumber 19.33%
    Citrus 18.99%
    Nitrile 18.64%
    Glue 18.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.5 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    253°C

    Flash point

    • 143.17 ˚C est.

  • Synonyms

    • (3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol
    • 81345-02-0
    • DTXSID301299300
    • RefChem:1050354
    • DTXCID701729448
    • (3Z,6Z,9Z)-dodecatrienol
    • (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol
    • (Z,Z,Z)-3,6,9-Dodecatrien-1-ol
    • 3Z,6Z,9Z-dodecatrien-1-ol
    • C08375
    • SCHEMBL9155204
    • CHEBI:28627
    • LMFA05000097
    • Q27103797
    • 81345-02-0

  • Applications

    The compound (3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol (CAS 81345-02-0) is primarily used in fragrance and cosmetic contexts, where it acts as a fragrance ingredient and odorant with a distinctive note, and it is commonly employed as an intermediate in the synthesis of other fragrance materials. It may also be used in household products as a scent component and can serve as a fixative or profile modifier in perfumery formulations; in coatings and inks it may be added as a fragrance additive, and it can be evaluated for industrial applications where odor management or scent branding is relevant, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1945.98
    methanol 1324.24
    isopropanol 1748.52
    water 0.03
    ethyl acetate 1359.87
    n-propanol 1592.16
    acetone 1748.64
    n-butanol 1612.49
    acetonitrile 663.57
    DMF 758.27
    toluene 446.99
    isobutanol 1015.87
    1,4-dioxane 1788.34
    methyl acetate 802.63
    THF 3215.25
    2-butanone 1326.0
    n-pentanol 1009.36
    sec-butanol 1367.93
    n-hexane 723.87
    ethylene glycol 107.41
    NMP 470.9
    cyclohexane 861.37
    DMSO 2213.75
    n-butyl acetate 1084.73
    n-octanol 273.74
    chloroform 1480.09
    n-propyl acetate 884.39
    acetic acid 482.45
    dichloromethane 1649.77
    cyclohexanone 1325.97
    propylene glycol 278.26
    isopropyl acetate 668.04
    DMAc 498.65
    2-ethoxyethanol 844.38
    isopentanol 1136.17
    n-heptane 431.47
    ethyl formate 394.13
    1,2-dichloroethane 1423.46
    n-hexanol 1142.74
    2-methoxyethanol 1354.8
    isobutyl acetate 465.51
    tetrachloromethane 328.69
    n-pentyl acetate 420.98
    transcutol 2495.44
    n-heptanol 337.07
    ethylbenzene 211.81
    MIBK 638.57
    2-propoxyethanol 1128.5
    tert-butanol 1851.76
    MTBE 1717.84
    2-butoxyethanol 514.35
    propionic acid 495.62
    o-xylene 202.38
    formic acid 71.77
    diethyl ether 2804.92
    m-xylene 252.57
    p-xylene 218.74
    chlorobenzene 360.33
    dimethyl carbonate 127.31
    n-octane 94.51
    formamide 124.28
    cyclopentanone 1214.01
    2-pentanone 1416.62
    anisole 348.52
    cyclopentyl methyl ether 1430.72
    gamma-butyrolactone 905.36
    1-methoxy-2-propanol 1145.24
    pyridine 999.76
    3-pentanone 791.96
    furfural 535.78
    n-dodecane 40.26
    diethylene glycol 481.71
    diisopropyl ether 567.24
    tert-amyl alcohol 1154.7
    acetylacetone 710.23
    n-hexadecane 45.79
    acetophenone 283.77
    methyl propionate 688.37
    isopentyl acetate 746.85
    trichloroethylene 1567.54
    n-nonanol 247.22
    cyclohexanol 1005.66
    benzyl alcohol 287.31
    2-ethylhexanol 641.31
    isooctanol 289.54
    dipropyl ether 1544.63
    1,2-dichlorobenzene 293.54
    ethyl lactate 206.61
    propylene carbonate 450.95
    n-methylformamide 346.03
    2-pentanol 1232.98
    n-pentane 634.68
    1-propoxy-2-propanol 996.21
    1-methoxy-2-propyl acetate 593.99
    2-(2-methoxypropoxy) propanol 342.33
    mesitylene 171.48
    ε-caprolactone 869.28
    p-cymene 154.55
    epichlorohydrin 1427.63
    1,1,1-trichloroethane 991.87
    2-aminoethanol 345.22
    morpholine-4-carbaldehyde 659.89
    sulfolane 1026.06
    2,2,4-trimethylpentane 128.53
    2-methyltetrahydrofuran 2359.89
    n-hexyl acetate 482.4
    isooctane 119.86
    2-(2-butoxyethoxy)ethanol 572.09
    sec-butyl acetate 503.68
    tert-butyl acetate 650.22
    decalin 169.01
    glycerin 248.57
    diglyme 1103.83
    acrylic acid 232.35
    isopropyl myristate 188.85
    n-butyric acid 1044.54
    acetyl acetate 372.86
    di(2-ethylhexyl) phthalate 126.34
    ethyl propionate 624.99
    nitromethane 657.01
    1,2-diethoxyethane 1343.85
    benzonitrile 309.0
    trioctyl phosphate 114.26
    1-bromopropane 1655.32
    gamma-valerolactone 1116.14
    n-decanol 180.78
    triethyl phosphate 196.04
    4-methyl-2-pentanol 485.19
    propionitrile 753.83
    vinylene carbonate 315.25
    1,1,2-trichlorotrifluoroethane 692.0
    DMS 229.93
    cumene 133.63
    2-octanol 214.46
    2-hexanone 907.93
    octyl acetate 213.73
    limonene 347.32
    1,2-dimethoxyethane 1628.81
    ethyl orthosilicate 232.58
    tributyl phosphate 147.54
    diacetone alcohol 623.26
    N,N-dimethylaniline 210.85
    acrylonitrile 498.99
    aniline 442.08
    1,3-propanediol 621.63
    bromobenzene 411.3
    dibromomethane 1437.61
    1,1,2,2-tetrachloroethane 1421.01
    2-methyl-cyclohexyl acetate 365.78
    tetrabutyl urea 187.82
    diisobutyl methanol 346.06
    2-phenylethanol 320.36
    styrene 288.93
    dioctyl adipate 247.98
    dimethyl sulfate 198.24
    ethyl butyrate 759.79
    methyl lactate 199.82
    butyl lactate 264.98
    diethyl carbonate 330.88
    propanediol butyl ether 355.81
    triethyl orthoformate 447.17
    p-tert-butyltoluene 156.28
    methyl 4-tert-butylbenzoate 221.89
    morpholine 2480.13
    tert-butylamine 1400.83
    n-dodecanol 140.23
    dimethoxymethane 1033.47
    ethylene carbonate 332.73
    cyrene 244.59
    2-ethoxyethyl acetate 458.61
    2-ethylhexyl acetate 581.47
    1,2,4-trichlorobenzene 314.76
    4-methylpyridine 815.71
    dibutyl ether 791.41
    2,6-dimethyl-4-heptanol 346.06
    DEF 954.46
    dimethyl isosorbide 520.15
    tetrachloroethylene 934.78
    eugenol 221.28
    triacetin 310.68
    span 80 359.69
    1,4-butanediol 216.5
    1,1-dichloroethane 1413.74
    2-methyl-1-pentanol 677.3
    methyl formate 210.47
    2-methyl-1-butanol 992.61
    n-decane 85.53
    butyronitrile 1094.93
    3,7-dimethyl-1-octanol 316.9
    1-chlorooctane 254.88
    1-chlorotetradecane 88.5
    n-nonane 103.52
    undecane 54.5
    tert-butylcyclohexane 150.31
    cyclooctane 230.65
    cyclopentanol 883.29
    tetrahydropyran 3369.56
    tert-amyl methyl ether 921.81
    2,5,8-trioxanonane 625.65
    1-hexene 1441.25
    2-isopropoxyethanol 609.72
    2,2,2-trifluoroethanol 76.67
    methyl butyrate 850.96

    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