1-Decen-3-ol, 3-acetate

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  • Identifiers

    CAS number
    56991-23-2

    Molecular formula
    C12H22O2

    SMILES
    CCCCCCCC(C=C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Green 59.01%
    Fruity 56.67%
    Floral 54.41%
    Waxy 52.04%
    Fatty 48.74%
    Fresh 47.25%
    Mushroom 46.47%
    Earthy 43.7%
    Oily 42.54%
    Herbal 40.56%

     

    Flavor
    Fruity 64.3%
    Green 58.07%
    Herbal 47.14%
    Floral 46.32%
    Oily 42.53%
    Waxy 40.63%
    Tropical 40.45%
    Fresh 40.2%
    Woody 37.71%
    Mushroom 33.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.89 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 98.3 ˚C est.

  • Synonyms

    • 1-Decen-3-ol, 3-acetate
    • Decen-3-yl acetate
    • 56991-23-2
    • 1-Decen-3-ol, acetate
    • EINECS 260-502-2
    • DTXSID30886213
    • RefChem:432038
    • DTXCID201025550
    • 1-Vinyloctyl acetate
    • dec-1-en-3-yl acetate
    • SCHEMBL16177782
    • DB-312409
    • NS00055341
    • 56991-23-2

  • Applications

    1-Decen-3-ol, 3-acetate (CAS 56991-23-2) is primarily used in perfumery as a fragrance ingredient and fixative, contributing green and fruity notes and helping to stabilize volatile components. In cosmetics and personal care, it can serve as an emollient and fragrance component in creams, lotions, and scented products. It may also be used in household cleaning products as a fragrance additive and odor carrier. In industrial manufacturing, coatings and inks, it can be encountered as a fragrance ingredient or intermediate in fragrance synthesis, and may be added to polymer formulations as a minor scent modifier. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3211.04
    methanol 3172.38
    isopropanol 3122.5
    water 0.05
    ethyl acetate 2955.04
    n-propanol 2728.61
    acetone 4841.02
    n-butanol 2517.33
    acetonitrile 2056.14
    DMF 3610.52
    toluene 1280.94
    isobutanol 2314.89
    1,4-dioxane 3158.33
    methyl acetate 2097.09
    THF 5348.21
    2-butanone 3461.39
    n-pentanol 1914.46
    sec-butanol 2911.97
    n-hexane 1200.23
    ethylene glycol 214.1
    NMP 2643.37
    cyclohexane 975.12
    DMSO 3942.64
    n-butyl acetate 2631.9
    n-octanol 744.55
    chloroform 4154.58
    n-propyl acetate 1877.99
    acetic acid 1393.44
    dichloromethane 3910.19
    cyclohexanone 4575.84
    propylene glycol 509.03
    isopropyl acetate 2051.64
    DMAc 2554.29
    2-ethoxyethanol 1566.04
    isopentanol 2401.33
    n-heptane 306.99
    ethyl formate 1176.39
    1,2-dichloroethane 3028.99
    n-hexanol 2152.97
    2-methoxyethanol 2380.77
    isobutyl acetate 1158.42
    tetrachloromethane 671.15
    n-pentyl acetate 1281.34
    transcutol 4986.64
    n-heptanol 629.87
    ethylbenzene 747.16
    MIBK 1754.93
    2-propoxyethanol 2247.31
    tert-butanol 3642.48
    MTBE 4230.39
    2-butoxyethanol 981.6
    propionic acid 1403.4
    o-xylene 767.58
    formic acid 237.24
    diethyl ether 4106.68
    m-xylene 890.91
    p-xylene 893.21
    chlorobenzene 1476.27
    dimethyl carbonate 465.73
    n-octane 114.63
    formamide 369.14
    cyclopentanone 3715.24
    2-pentanone 3262.64
    anisole 1159.71
    cyclopentyl methyl ether 3190.58
    gamma-butyrolactone 3070.42
    1-methoxy-2-propanol 2203.87
    pyridine 2578.19
    3-pentanone 1980.99
    furfural 1918.71
    n-dodecane 72.64
    diethylene glycol 987.09
    diisopropyl ether 1096.94
    tert-amyl alcohol 3120.52
    acetylacetone 2269.76
    n-hexadecane 87.47
    acetophenone 981.02
    methyl propionate 1833.89
    isopentyl acetate 2173.72
    trichloroethylene 4039.31
    n-nonanol 616.8
    cyclohexanol 2635.73
    benzyl alcohol 891.98
    2-ethylhexanol 1260.71
    isooctanol 572.12
    dipropyl ether 1653.41
    1,2-dichlorobenzene 1176.66
    ethyl lactate 514.86
    propylene carbonate 1571.6
    n-methylformamide 1245.95
    2-pentanol 2157.14
    n-pentane 594.44
    1-propoxy-2-propanol 1907.93
    1-methoxy-2-propyl acetate 1705.11
    2-(2-methoxypropoxy) propanol 1004.91
    mesitylene 587.75
    ε-caprolactone 2953.38
    p-cymene 394.93
    epichlorohydrin 3541.39
    1,1,1-trichloroethane 2943.35
    2-aminoethanol 682.19
    morpholine-4-carbaldehyde 2159.06
    sulfolane 3489.19
    2,2,4-trimethylpentane 237.09
    2-methyltetrahydrofuran 4737.2
    n-hexyl acetate 1781.57
    isooctane 191.44
    2-(2-butoxyethoxy)ethanol 1404.86
    sec-butyl acetate 1301.28
    tert-butyl acetate 2093.18
    decalin 380.48
    glycerin 494.88
    diglyme 2330.62
    acrylic acid 811.34
    isopropyl myristate 585.43
    n-butyric acid 2576.98
    acetyl acetate 1210.95
    di(2-ethylhexyl) phthalate 470.59
    ethyl propionate 1502.72
    nitromethane 2152.48
    1,2-diethoxyethane 2327.55
    benzonitrile 1233.37
    trioctyl phosphate 359.92
    1-bromopropane 2786.98
    gamma-valerolactone 3494.55
    n-decanol 432.01
    triethyl phosphate 463.09
    4-methyl-2-pentanol 1031.98
    propionitrile 1876.53
    vinylene carbonate 1246.21
    1,1,2-trichlorotrifluoroethane 1799.72
    DMS 954.08
    cumene 478.23
    2-octanol 549.13
    2-hexanone 2259.81
    octyl acetate 713.73
    limonene 808.99
    1,2-dimethoxyethane 3158.94
    ethyl orthosilicate 485.88
    tributyl phosphate 497.68
    diacetone alcohol 1694.57
    N,N-dimethylaniline 780.46
    acrylonitrile 1638.93
    aniline 1335.72
    1,3-propanediol 1099.23
    bromobenzene 1739.28
    dibromomethane 3106.93
    1,1,2,2-tetrachloroethane 3929.16
    2-methyl-cyclohexyl acetate 1011.17
    tetrabutyl urea 641.72
    diisobutyl methanol 595.33
    2-phenylethanol 951.97
    styrene 969.81
    dioctyl adipate 790.69
    dimethyl sulfate 752.47
    ethyl butyrate 1367.94
    methyl lactate 588.31
    butyl lactate 819.8
    diethyl carbonate 722.8
    propanediol butyl ether 948.43
    triethyl orthoformate 811.58
    p-tert-butyltoluene 392.01
    methyl 4-tert-butylbenzoate 788.22
    morpholine 4316.45
    tert-butylamine 2362.22
    n-dodecanol 320.84
    dimethoxymethane 1984.27
    ethylene carbonate 1183.59
    cyrene 746.28
    2-ethoxyethyl acetate 1354.32
    2-ethylhexyl acetate 1635.92
    1,2,4-trichlorobenzene 1324.2
    4-methylpyridine 2974.85
    dibutyl ether 1580.8
    2,6-dimethyl-4-heptanol 595.33
    DEF 2812.08
    dimethyl isosorbide 1575.83
    tetrachloroethylene 2263.11
    eugenol 740.37
    triacetin 1128.35
    span 80 998.01
    1,4-butanediol 489.73
    1,1-dichloroethane 3555.96
    2-methyl-1-pentanol 1760.64
    methyl formate 796.39
    2-methyl-1-butanol 2224.22
    n-decane 148.91
    butyronitrile 2470.47
    3,7-dimethyl-1-octanol 840.4
    1-chlorooctane 671.91
    1-chlorotetradecane 222.54
    n-nonane 163.52
    undecane 98.77
    tert-butylcyclohexane 353.31
    cyclooctane 264.87
    cyclopentanol 2410.65
    tetrahydropyran 5408.5
    tert-amyl methyl ether 2571.73
    2,5,8-trioxanonane 1495.68
    1-hexene 2947.59
    2-isopropoxyethanol 1302.24
    2,2,2-trifluoroethanol 289.62
    methyl butyrate 2110.56

    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