Allyl undecanoate

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  • Identifiers

    CAS number
    17308-90-6

    Molecular formula
    C14H26O2

    SMILES
    CCCCCCCCCCC(=O)OCC=C

  • Odor profile

    Fruity 89.04%
    Fatty 76.69%
    Waxy 66.9%
    Sweet 64.57%
    Winey 62.72%
    Oily 57.12%
    Pineapple 55.63%
    Cognac 51.65%
    Peach 44.01%
    Creamy 42.73%

    Scent© AI

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.34 (neutral)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point est.
    119.66 ˚C

  • Synonyms

    • Allyl undecanoate
    • 17308-90-6
    • prop-2-enyl undecanoate
    • Q1AXF4KVA6
    • EINECS 241-338-0
    • UNII-Q1AXF4KVA6
    • allyl undecylate
    • SCHEMBL3503097
    • DTXSID70169512
    • Undecanoic acid, 2-propenyl ester
    • UNDECANOIC ACID, ALLYL ESTER
    • NS00025671
    • UNDECANOIC ACID, 2-PROPEN-1-YL ESTER
    • Q27286881

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1569.69
    methanol 1293.64
    isopropanol 1686.06
    water 0.01
    ethyl acetate 3284.27
    n-propanol 1540.12
    acetone 3708.39
    n-butanol 1525.08
    acetonitrile 1487.34
    DMF 2278.81
    toluene 1147.09
    isobutanol 1307.5
    1,4-dioxane 2255.68
    methyl acetate 1922.38
    THF 4526.22
    2-butanone 3384.8
    n-pentanol 1227.84
    sec-butanol 1687.54
    n-hexane 727.52
    ethylene glycol 52.16
    NMP 1984.26
    cyclohexane 1067.67
    DMSO 2832.35
    n-butyl acetate 3041.98
    n-octanol 567.3
    chloroform 3626.87
    n-propyl acetate 2680.76
    acetic acid 817.9
    dichloromethane 4065.38
    cyclohexanone 4800.7
    propylene glycol 170.6
    isopropyl acetate 2270.05
    DMAc 2048.66
    2-ethoxyethanol 1148.91
    isopentanol 1632.86
    n-heptane 308.23
    ethyl formate 1106.66
    1,2-dichloroethane 3341.84
    n-hexanol 1227.47
    2-methoxyethanol 1468.57
    isobutyl acetate 1468.24
    tetrachloromethane 631.96
    n-pentyl acetate 1709.48
    transcutol 4363.61
    n-heptanol 502.6
    ethylbenzene 714.56
    MIBK 1773.53
    2-propoxyethanol 1551.68
    tert-butanol 2044.58
    MTBE 3100.81
    2-butoxyethanol 889.12
    propionic acid 856.73
    o-xylene 712.26
    formic acid 98.45
    diethyl ether 3334.09
    m-xylene 782.18
    p-xylene 919.07
    chlorobenzene 1517.71
    dimethyl carbonate 356.3
    n-octane 109.92
    formamide 207.07
    cyclopentanone 3722.78
    2-pentanone 3392.42
    anisole 1085.41
    cyclopentyl methyl ether 2807.31
    gamma-butyrolactone 2920.75
    1-methoxy-2-propanol 1454.57
    pyridine 2562.15
    3-pentanone 1985.43
    furfural 1914.85
    n-dodecane 58.33
    diethylene glycol 547.74
    diisopropyl ether 999.29
    tert-amyl alcohol 1921.3
    acetylacetone 2395.7
    n-hexadecane 72.0
    acetophenone 1115.82
    methyl propionate 1733.43
    isopentyl acetate 2423.75
    trichloroethylene 4772.03
    n-nonanol 491.72
    cyclohexanol 1822.71
    benzyl alcohol 715.31
    2-ethylhexanol 982.88
    isooctanol 498.04
    dipropyl ether 1801.58
    1,2-dichlorobenzene 1381.73
    ethyl lactate 520.87
    propylene carbonate 1633.27
    n-methylformamide 803.62
    2-pentanol 1483.16
    n-pentane 391.32
    1-propoxy-2-propanol 1513.28
    1-methoxy-2-propyl acetate 1762.52
    2-(2-methoxypropoxy) propanol 822.83
    mesitylene 520.77
    ε-caprolactone 3210.26
    p-cymene 424.67
    epichlorohydrin 3601.83
    1,1,1-trichloroethane 3159.09
    2-aminoethanol 243.69
    morpholine-4-carbaldehyde 1733.76
    sulfolane 2970.38
    2,2,4-trimethylpentane 172.26
    2-methyltetrahydrofuran 4198.6
    n-hexyl acetate 1883.44
    isooctane 144.11
    2-(2-butoxyethoxy)ethanol 1152.23
    sec-butyl acetate 1782.75
    tert-butyl acetate 2151.19
    decalin 338.62
    glycerin 176.72
    diglyme 2283.07
    acrylic acid 464.33
    isopropyl myristate 573.42
    n-butyric acid 2142.14
    acetyl acetate 1293.85
    di(2-ethylhexyl) phthalate 395.86
    ethyl propionate 1989.96
    nitromethane 1719.89
    1,2-diethoxyethane 2491.49
    benzonitrile 1224.74
    trioctyl phosphate 303.0
    1-bromopropane 2835.1
    gamma-valerolactone 3497.8
    n-decanol 328.29
    triethyl phosphate 540.26
    4-methyl-2-pentanol 774.76
    propionitrile 1513.65
    vinylene carbonate 1194.73
    1,1,2-trichlorotrifluoroethane 1511.14
    DMS 945.85
    cumene 447.54
    2-octanol 466.46
    2-hexanone 2560.15
    octyl acetate 674.53
    limonene 832.73
    1,2-dimethoxyethane 2784.18
    ethyl orthosilicate 553.27
    tributyl phosphate 450.13
    diacetone alcohol 1549.64
    N,N-dimethylaniline 710.88
    acrylonitrile 1281.89
    aniline 960.93
    1,3-propanediol 540.88
    bromobenzene 1846.99
    dibromomethane 3182.55
    1,1,2,2-tetrachloroethane 4104.07
    2-methyl-cyclohexyl acetate 1110.99
    tetrabutyl urea 578.62
    diisobutyl methanol 573.87
    2-phenylethanol 761.17
    styrene 959.2
    dioctyl adipate 775.6
    dimethyl sulfate 574.04
    ethyl butyrate 1923.12
    methyl lactate 425.02
    butyl lactate 908.04
    diethyl carbonate 941.89
    propanediol butyl ether 688.41
    triethyl orthoformate 1022.63
    p-tert-butyltoluene 393.58
    methyl 4-tert-butylbenzoate 792.82
    morpholine 3318.43
    tert-butylamine 1360.01
    n-dodecanol 238.86
    dimethoxymethane 1519.66
    ethylene carbonate 1178.5
    cyrene 624.58
    2-ethoxyethyl acetate 1615.89
    2-ethylhexyl acetate 1906.45
    1,2,4-trichlorobenzene 1443.87
    4-methylpyridine 2748.74
    dibutyl ether 1757.29
    2,6-dimethyl-4-heptanol 573.87
    DEF 2785.57
    dimethyl isosorbide 1416.04
    tetrachloroethylene 2420.96
    eugenol 680.73
    triacetin 1171.58
    span 80 820.47
    1,4-butanediol 231.63
    1,1-dichloroethane 3537.34
    2-methyl-1-pentanol 1192.08
    methyl formate 504.89
    2-methyl-1-butanol 1401.66
    n-decane 131.28
    butyronitrile 2063.51
    3,7-dimethyl-1-octanol 679.54
    1-chlorooctane 628.34
    1-chlorotetradecane 185.98
    n-nonane 143.67
    undecane 81.11
    tert-butylcyclohexane 282.77
    cyclooctane 263.64
    cyclopentanol 1541.83
    tetrahydropyran 4938.75
    tert-amyl methyl ether 2025.96
    2,5,8-trioxanonane 1330.95
    1-hexene 2146.09
    2-isopropoxyethanol 1045.85
    2,2,2-trifluoroethanol 173.11
    methyl butyrate 2820.18

    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