3,6-Nonadien-1-ol, (3Z,6Z)-

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  • Identifiers

    CAS number
    53046-97-2

    Molecular formula
    C9H16O

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

  • Odor profile

    Fragrance
    Green 84.16%
    Fatty 71.07%
    Melon 68.49%
    Cucumber 60.4%
    Waxy 59.78%
    Fresh 58.59%
    Vegetable 55.53%
    Fruity 54.6%
    Oily 50.55%
    Violet 48.72%

     

    Flavor
    Melon 40.85%
    Green 40.43%
    Fatty 36.64%
    Fresh 33.95%
    Cucumber 30.67%
    Vegetable 24.51%
    Waxy 23.53%
    Citrus 23.26%
    Oily 22.75%
    Honeydew 22.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.63 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 70.00 °C. @ 2.00 mm Hg

    Flash point

    • 102.41 ˚C est.

    Solubility expt.

    • very slightly
    • slightly soluble in water; soluble in fats
    • soluble (in ethanol)

  • Synonyms

    • (3Z,6Z)-3,6-Nonadien-1-ol
    • 53046-97-2
    • (Z,z)-3,6-nonadien-1-ol
    • (3Z,6Z)-nona-3,6-dien-1-ol
    • 3,6-Nonadien-1-ol, (3Z,6Z)-
    • (Z,Z)-3,6-nonadienol
    • 3,6-Nonadien-1-ol, (Z,Z)-
    • UNII-8J66AVE64W
    • 8J66AVE64W
    • FEMA 3885
    • 3Z,6Z-Nonadien-1-ol
    • AI3-38505
    • FEMA NO. 3885
    • DTXSID60886029
    • CIS,CIS-3,6-NONADIEN-1-OL
    • SCHEMBL88349
    • CHEBI:195699
    • DTXCID701025379
    • ( Z, Z)-3,6-nonadien-1-ol
    • LMFA05000136
    • AKOS006229280
    • (Z,Z)-3,6-NONADIENOL [FHFI]
    • (Z,Z)-3,6- NONADIENOL [FHFI]
    • DB-007998
    • Q27270619

  • Applications

    3,6-Nonadien-1-ol, (3Z,6Z)-, CAS 53046-97-2 is primarily used as an odorant and fragrance ingredient in perfumery, providing a conjugated diene-alcohol character that can serve as a building block for more complex aroma compounds; it is also used as a fragrance component in cosmetics/personal care formulations, and may be evaluated for flavor and aroma applications in the food and beverage sector. In industrial manufacturing, it functions as a chemical intermediate for synthesis of other fragrance and aroma molecules, and may act as a reactive intermediate for further functionalization or oxidation to access related derivatives. Overall, use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7682.11
    methanol 6238.89
    isopropanol 6452.25
    water 0.36
    ethyl acetate 2912.42
    n-propanol 5842.19
    acetone 4871.21
    n-butanol 5572.17
    acetonitrile 2167.86
    DMF 2741.18
    toluene 767.77
    isobutanol 3781.47
    1,4-dioxane 3928.92
    methyl acetate 1923.38
    THF 6098.26
    2-butanone 2881.64
    n-pentanol 2992.51
    sec-butanol 4279.22
    n-hexane 1369.76
    ethylene glycol 647.58
    NMP 1165.48
    cyclohexane 1355.02
    DMSO 5322.86
    n-butyl acetate 2152.73
    n-octanol 665.79
    chloroform 2744.1
    n-propyl acetate 1630.83
    acetic acid 2067.57
    dichloromethane 2662.25
    cyclohexanone 2634.07
    propylene glycol 1212.33
    isopropyl acetate 1316.69
    DMAc 1086.02
    2-ethoxyethanol 2150.09
    isopentanol 3387.07
    n-heptane 779.24
    ethyl formate 1070.29
    1,2-dichloroethane 2247.0
    n-hexanol 3152.55
    2-methoxyethanol 4210.92
    isobutyl acetate 796.54
    tetrachloromethane 658.21
    n-pentyl acetate 711.36
    transcutol 4555.59
    n-heptanol 831.63
    ethylbenzene 314.6
    MIBK 1153.81
    2-propoxyethanol 2899.43
    tert-butanol 5664.57
    MTBE 3513.4
    2-butoxyethanol 1140.6
    propionic acid 1834.03
    o-xylene 312.64
    formic acid 385.92
    diethyl ether 5412.56
    m-xylene 426.52
    p-xylene 338.48
    chlorobenzene 652.78
    dimethyl carbonate 281.44
    n-octane 166.53
    formamide 592.56
    cyclopentanone 2509.86
    2-pentanone 2936.26
    anisole 589.71
    cyclopentyl methyl ether 2769.57
    gamma-butyrolactone 2096.28
    1-methoxy-2-propanol 3105.0
    pyridine 2101.62
    3-pentanone 1473.44
    furfural 1100.43
    n-dodecane 71.77
    diethylene glycol 1415.63
    diisopropyl ether 1024.91
    tert-amyl alcohol 2975.73
    acetylacetone 1340.65
    n-hexadecane 79.36
    acetophenone 416.32
    methyl propionate 1588.63
    isopentyl acetate 1381.95
    trichloroethylene 2596.14
    n-nonanol 534.36
    cyclohexanol 2769.28
    benzyl alcohol 594.87
    2-ethylhexanol 1444.93
    isooctanol 599.6
    dipropyl ether 2670.63
    1,2-dichlorobenzene 435.31
    ethyl lactate 400.27
    propylene carbonate 903.9
    n-methylformamide 1487.57
    2-pentanol 3540.57
    n-pentane 1357.43
    1-propoxy-2-propanol 2229.87
    1-methoxy-2-propyl acetate 1069.91
    2-(2-methoxypropoxy) propanol 563.37
    mesitylene 255.33
    ε-caprolactone 1720.49
    p-cymene 239.58
    epichlorohydrin 2694.38
    1,1,1-trichloroethane 1666.82
    2-aminoethanol 1725.24
    morpholine-4-carbaldehyde 1429.17
    sulfolane 1899.9
    2,2,4-trimethylpentane 242.68
    2-methyltetrahydrofuran 4484.42
    n-hexyl acetate 855.62
    isooctane 231.3
    2-(2-butoxyethoxy)ethanol 1036.6
    sec-butyl acetate 822.46
    tert-butyl acetate 1126.23
    decalin 246.3
    glycerin 927.09
    diglyme 1883.98
    acrylic acid 924.01
    isopropyl myristate 281.19
    n-butyric acid 3275.48
    acetyl acetate 717.36
    di(2-ethylhexyl) phthalate 200.9
    ethyl propionate 1062.57
    nitromethane 2094.24
    1,2-diethoxyethane 2240.9
    benzonitrile 641.94
    trioctyl phosphate 186.56
    1-bromopropane 2698.22
    gamma-valerolactone 2285.45
    n-decanol 375.0
    triethyl phosphate 276.21
    4-methyl-2-pentanol 1137.17
    propionitrile 2253.33
    vinylene carbonate 670.44
    1,1,2-trichlorotrifluoroethane 1510.67
    DMS 383.53
    cumene 188.88
    2-octanol 487.74
    2-hexanone 1716.55
    octyl acetate 345.86
    limonene 568.15
    1,2-dimethoxyethane 3217.08
    ethyl orthosilicate 337.88
    tributyl phosphate 235.37
    diacetone alcohol 1186.85
    N,N-dimethylaniline 321.07
    acrylonitrile 1576.67
    aniline 1037.29
    1,3-propanediol 2440.25
    bromobenzene 663.02
    dibromomethane 2415.35
    1,1,2,2-tetrachloroethane 2225.96
    2-methyl-cyclohexyl acetate 532.73
    tetrabutyl urea 297.75
    diisobutyl methanol 658.21
    2-phenylethanol 648.05
    styrene 461.08
    dioctyl adipate 356.27
    dimethyl sulfate 371.08
    ethyl butyrate 1263.65
    methyl lactate 488.44
    butyl lactate 470.16
    diethyl carbonate 524.65
    propanediol butyl ether 810.24
    triethyl orthoformate 692.89
    p-tert-butyltoluene 240.99
    methyl 4-tert-butylbenzoate 316.63
    morpholine 5355.84
    tert-butylamine 4081.84
    n-dodecanol 279.96
    dimethoxymethane 2255.45
    ethylene carbonate 711.31
    cyrene 390.12
    2-ethoxyethyl acetate 773.23
    2-ethylhexyl acetate 1008.99
    1,2,4-trichlorobenzene 463.97
    4-methylpyridine 1707.42
    dibutyl ether 1329.23
    2,6-dimethyl-4-heptanol 658.21
    DEF 2053.08
    dimethyl isosorbide 771.29
    tetrachloroethylene 1624.82
    eugenol 351.21
    triacetin 464.12
    span 80 644.35
    1,4-butanediol 811.45
    1,1-dichloroethane 2599.63
    2-methyl-1-pentanol 1649.1
    methyl formate 822.81
    2-methyl-1-butanol 2959.28
    n-decane 151.45
    butyronitrile 3008.74
    3,7-dimethyl-1-octanol 636.91
    1-chlorooctane 429.72
    1-chlorotetradecane 141.2
    n-nonane 187.13
    undecane 98.17
    tert-butylcyclohexane 244.92
    cyclooctane 345.4
    cyclopentanol 2704.53
    tetrahydropyran 6436.22
    tert-amyl methyl ether 1718.39
    2,5,8-trioxanonane 984.05
    1-hexene 2870.51
    2-isopropoxyethanol 1330.9
    2,2,2-trifluoroethanol 295.29
    methyl butyrate 1537.08

    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