Undec-9-enol

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  • Identifiers

    CAS number
    112-46-9

    Molecular formula
    C11H22O

    SMILES
    C/C=C/CCCCCCCCO

    Safety labels

  • Odor profile

    Fragrance
    Waxy 73.45%
    Floral 72.76%
    Rose 65.7%
    Fruity 62.02%
    Citrus 61.45%
    Fatty 61.41%
    Fresh 57.64%
    Clean 46.2%
    Green 45.39%
    Oily 45.39%

     

    Flavor
    Waxy 70.9%
    Floral 56.64%
    Fresh 56.58%
    Rose 51.25%
    Citrus 50.67%
    Green 43.46%
    Clean 41.63%
    Aldehydic 38.32%
    Orange 38.1%
    Melon 37.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.19 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    247°C

    Flash point

    • 114.96 ˚C est.

  • Synonyms

    • Undec-9-enol
    • 112-46-9
    • EINECS 203-974-7
    • RefChem:386848
    • 203-974-7
    • (E)-undec-9-en-1-ol
    • UNDEC-9-EN-1-OL
    • SCHEMBL1602828
    • SCHEMBL9508599
    • XWGRSDLPOHMWEO-NSCUHMNNSA-N
    • AKOS024264141
    • 112-46-9

  • Applications

    Undec-9-enol is a long-chain alkenyl alcohol that is mainly used as an intermediate in fragrance chemistry, enabling the synthesis of undecenyl esters and related aroma compounds, and it may serve as a fragrance ingredient or carrier with potential fixative properties. In cosmetics and personal care, it can function as an emollient and as a precursor for fragrance esters incorporated into lotions, creams, and other products. In household products, it may be formulated as a fragrance component or processing aid in cleaners and specialty detergents. In industrial manufacturing, it is used as a chemical building block for the synthesis of esters, solvents, and other intermediates utilized in perfumery and coatings. It can also serve as a building block for specialty polymers and coatings by providing a long hydrophobic chain in polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9201.72
    methanol 5732.48
    isopropanol 10491.99
    water 0.04
    ethyl acetate 5950.41
    n-propanol 8484.48
    acetone 8131.41
    n-butanol 8647.18
    acetonitrile 3102.7
    DMF 2790.48
    toluene 1588.88
    isobutanol 5909.7
    1,4-dioxane 6790.83
    methyl acetate 2945.59
    THF 12573.91
    2-butanone 6000.27
    n-pentanol 5025.53
    sec-butanol 7895.23
    n-hexane 4182.28
    ethylene glycol 329.82
    NMP 1410.13
    cyclohexane 4334.84
    DMSO 6328.65
    n-butyl acetate 5030.07
    n-octanol 1329.04
    chloroform 5046.45
    n-propyl acetate 3959.88
    acetic acid 1780.09
    dichloromethane 5481.1
    cyclohexanone 5772.72
    propylene glycol 928.5
    isopropyl acetate 3263.64
    DMAc 1424.46
    2-ethoxyethanol 3410.96
    isopentanol 6417.18
    n-heptane 2307.91
    ethyl formate 1711.39
    1,2-dichloroethane 4758.49
    n-hexanol 5209.97
    2-methoxyethanol 5525.47
    isobutyl acetate 1810.92
    tetrachloromethane 1267.96
    n-pentyl acetate 1982.88
    transcutol 8073.46
    n-heptanol 1663.64
    ethylbenzene 779.06
    MIBK 3030.26
    2-propoxyethanol 4477.53
    tert-butanol 10337.96
    MTBE 8796.31
    2-butoxyethanol 2107.27
    propionic acid 2000.6
    o-xylene 689.79
    formic acid 217.67
    diethyl ether 13176.47
    m-xylene 933.29
    p-xylene 806.65
    chlorobenzene 1223.89
    dimethyl carbonate 368.31
    n-octane 486.93
    formamide 412.57
    cyclopentanone 4670.29
    2-pentanone 6760.85
    anisole 1130.83
    cyclopentyl methyl ether 6173.58
    gamma-butyrolactone 3208.51
    1-methoxy-2-propanol 4961.32
    pyridine 3678.79
    3-pentanone 3169.3
    furfural 1548.82
    n-dodecane 156.96
    diethylene glycol 1555.89
    diisopropyl ether 3119.08
    tert-amyl alcohol 6025.54
    acetylacetone 2683.88
    n-hexadecane 178.49
    acetophenone 787.75
    methyl propionate 2583.75
    isopentyl acetate 3295.42
    trichloroethylene 4748.97
    n-nonanol 1094.48
    cyclohexanol 5363.35
    benzyl alcohol 941.89
    2-ethylhexanol 2946.99
    isooctanol 1317.84
    dipropyl ether 7283.71
    1,2-dichlorobenzene 859.51
    ethyl lactate 659.07
    propylene carbonate 1503.66
    n-methylformamide 1492.81
    2-pentanol 7098.08
    n-pentane 3288.35
    1-propoxy-2-propanol 4276.02
    1-methoxy-2-propyl acetate 2242.26
    2-(2-methoxypropoxy) propanol 927.33
    mesitylene 608.27
    ε-caprolactone 3710.09
    p-cymene 564.11
    epichlorohydrin 4925.46
    1,1,1-trichloroethane 3694.91
    2-aminoethanol 1348.36
    morpholine-4-carbaldehyde 1992.08
    sulfolane 2818.88
    2,2,4-trimethylpentane 613.7
    2-methyltetrahydrofuran 10322.6
    n-hexyl acetate 2102.44
    isooctane 603.77
    2-(2-butoxyethoxy)ethanol 1831.0
    sec-butyl acetate 2273.34
    tert-butyl acetate 2911.99
    decalin 699.05
    glycerin 724.1
    diglyme 3669.08
    acrylic acid 832.59
    isopropyl myristate 632.35
    n-butyric acid 5164.29
    acetyl acetate 1336.1
    di(2-ethylhexyl) phthalate 339.18
    ethyl propionate 2644.24
    nitromethane 2372.71
    1,2-diethoxyethane 5344.98
    benzonitrile 1106.47
    trioctyl phosphate 346.38
    1-bromopropane 6437.25
    gamma-valerolactone 4225.0
    n-decanol 723.17
    triethyl phosphate 559.45
    4-methyl-2-pentanol 2600.31
    propionitrile 3735.51
    vinylene carbonate 990.43
    1,1,2-trichlorotrifluoroethane 2030.9
    DMS 624.07
    cumene 447.24
    2-octanol 1087.78
    2-hexanone 4123.83
    octyl acetate 726.02
    limonene 1423.8
    1,2-dimethoxyethane 6225.07
    ethyl orthosilicate 707.67
    tributyl phosphate 451.52
    diacetone alcohol 2499.17
    N,N-dimethylaniline 617.11
    acrylonitrile 2250.92
    aniline 1677.08
    1,3-propanediol 2658.36
    bromobenzene 1353.01
    dibromomethane 5137.92
    1,1,2,2-tetrachloroethane 4221.81
    2-methyl-cyclohexyl acetate 1220.0
    tetrabutyl urea 526.32
    diisobutyl methanol 1569.9
    2-phenylethanol 1098.55
    styrene 1035.57
    dioctyl adipate 701.04
    dimethyl sulfate 454.85
    ethyl butyrate 3254.6
    methyl lactate 627.12
    butyl lactate 1008.49
    diethyl carbonate 1117.82
    propanediol butyl ether 1236.03
    triethyl orthoformate 1686.57
    p-tert-butyltoluene 560.77
    methyl 4-tert-butylbenzoate 604.98
    morpholine 9931.4
    tert-butylamine 8408.19
    n-dodecanol 519.2
    dimethoxymethane 3573.31
    ethylene carbonate 1167.97
    cyrene 586.33
    2-ethoxyethyl acetate 1770.54
    2-ethylhexyl acetate 2494.39
    1,2,4-trichlorobenzene 859.37
    4-methylpyridine 3179.05
    dibutyl ether 4026.66
    2,6-dimethyl-4-heptanol 1569.9
    DEF 3843.8
    dimethyl isosorbide 1316.45
    tetrachloroethylene 3040.94
    eugenol 565.32
    triacetin 891.31
    span 80 1058.38
    1,4-butanediol 842.73
    1,1-dichloroethane 5865.28
    2-methyl-1-pentanol 3214.99
    methyl formate 734.8
    2-methyl-1-butanol 5206.35
    n-decane 392.43
    butyronitrile 5745.01
    3,7-dimethyl-1-octanol 1402.72
    1-chlorooctane 1106.54
    1-chlorotetradecane 304.29
    n-nonane 513.29
    undecane 228.67
    tert-butylcyclohexane 655.43
    cyclooctane 1098.12
    cyclopentanol 4577.86
    tetrahydropyran 14959.11
    tert-amyl methyl ether 4299.1
    2,5,8-trioxanonane 1628.41
    1-hexene 7913.22
    2-isopropoxyethanol 2445.54
    2,2,2-trifluoroethanol 246.03
    methyl butyrate 3744.22

    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