Allyl oct-2-enoate

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  • Identifiers

    CAS number
    94135-94-1

    Molecular formula
    C11H18O2

    SMILES
    CCCCC/C=C/C(=O)OCC=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 91.37%
    Green 73.26%
    Fatty 65.69%
    Pineapple 64.0%
    Waxy 62.01%
    Pear 56.21%
    Sweet 55.09%
    Tropical 53.85%
    Melon 43.29%
    Apple 43.08%

     

    Flavor
    Fruity 66.4%
    Green 56.51%
    Fatty 43.15%
    Waxy 36.04%
    Oily 32.48%
    Sweet 31.0%
    Tropical 29.63%
    Apple 28.59%
    Pear 28.18%
    Vegetable 27.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.68 (neutral)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 100.41 ˚C est.

  • Synonyms

    • Allyl oct-2-enoate
    • EINECS 302-966-1
    • 94135-94-1
    • SCHEMBL29047216
    • ZXSSSENGZAYAMP-CMDGGOBGSA-N
    • 94135-94-1

  • Applications

    Allyl oct-2-enoate (CAS 94135-94-1) is primarily employed as an intermediate in organic synthesis, enabling access to α,β-unsaturated esters and allyl-functional compounds. In industry it can serve as a reactive building block for specialty polymers and for formulations containing unsaturated ester moieties. It may act as a monomer or co-monomer in polymer and coating systems, including UV-curable coatings and inks, where the allyl and α,β-unsaturated ester functionalities support crosslinking or post-polymerization modification. It can also be used as a reactive diluent or functional additive in tailored polymer formulations. Additionally, it may be explored as a precursor in fragrance chemistry or related ester synthesis in certain formulation workflows, all in compliance with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2386.16
    methanol 2550.84
    isopropanol 1443.48
    water 0.04
    ethyl acetate 2447.79
    n-propanol 1622.66
    acetone 3259.54
    n-butanol 1467.81
    acetonitrile 1506.9
    DMF 3266.28
    toluene 931.77
    isobutanol 1157.75
    1,4-dioxane 1628.4
    methyl acetate 1564.15
    THF 3253.14
    2-butanone 2673.15
    n-pentanol 1096.96
    sec-butanol 1468.45
    n-hexane 278.73
    ethylene glycol 158.08
    NMP 2163.09
    cyclohexane 285.35
    DMSO 3846.11
    n-butyl acetate 1775.14
    n-octanol 349.7
    chloroform 2511.12
    n-propyl acetate 1296.29
    acetic acid 1112.92
    dichloromethane 3008.93
    cyclohexanone 2795.16
    propylene glycol 371.05
    isopropyl acetate 1299.97
    DMAc 2095.46
    2-ethoxyethanol 1062.44
    isopentanol 1259.35
    n-heptane 83.87
    ethyl formate 872.66
    1,2-dichloroethane 2689.53
    n-hexanol 1140.0
    2-methoxyethanol 1933.75
    isobutyl acetate 707.67
    tetrachloromethane 262.82
    n-pentyl acetate 741.41
    transcutol 4179.27
    n-heptanol 317.78
    ethylbenzene 467.99
    MIBK 1035.06
    2-propoxyethanol 1471.59
    tert-butanol 1628.22
    MTBE 1883.33
    2-butoxyethanol 586.08
    propionic acid 888.94
    o-xylene 471.18
    formic acid 221.4
    diethyl ether 2110.96
    m-xylene 603.34
    p-xylene 496.01
    chlorobenzene 1054.08
    dimethyl carbonate 434.36
    n-octane 33.89
    formamide 412.3
    cyclopentanone 2837.33
    2-pentanone 2368.8
    anisole 866.02
    cyclopentyl methyl ether 1859.37
    gamma-butyrolactone 2419.94
    1-methoxy-2-propanol 1613.17
    pyridine 2039.33
    3-pentanone 1434.46
    furfural 1599.96
    n-dodecane 25.1
    diethylene glycol 773.28
    diisopropyl ether 531.85
    tert-amyl alcohol 1539.42
    acetylacetone 1859.35
    n-hexadecane 30.14
    acetophenone 810.12
    methyl propionate 1569.43
    isopentyl acetate 1400.04
    trichloroethylene 4215.34
    n-nonanol 287.6
    cyclohexanol 1248.61
    benzyl alcohol 658.35
    2-ethylhexanol 636.42
    isooctanol 279.12
    dipropyl ether 729.07
    1,2-dichlorobenzene 889.78
    ethyl lactate 367.46
    propylene carbonate 1154.94
    n-methylformamide 1123.41
    2-pentanol 1145.1
    n-pentane 181.84
    1-propoxy-2-propanol 1157.27
    1-methoxy-2-propyl acetate 1210.69
    2-(2-methoxypropoxy) propanol 682.0
    mesitylene 325.93
    ε-caprolactone 1887.96
    p-cymene 233.23
    epichlorohydrin 2996.01
    1,1,1-trichloroethane 1788.46
    2-aminoethanol 522.03
    morpholine-4-carbaldehyde 1488.15
    sulfolane 2620.14
    2,2,4-trimethylpentane 96.29
    2-methyltetrahydrofuran 2855.62
    n-hexyl acetate 995.21
    isooctane 83.29
    2-(2-butoxyethoxy)ethanol 986.9
    sec-butyl acetate 861.27
    tert-butyl acetate 1269.91
    decalin 149.82
    glycerin 358.17
    diglyme 1664.41
    acrylic acid 596.18
    isopropyl myristate 316.13
    n-butyric acid 1649.57
    acetyl acetate 954.94
    di(2-ethylhexyl) phthalate 273.59
    ethyl propionate 1073.5
    nitromethane 2103.03
    1,2-diethoxyethane 1543.19
    benzonitrile 894.83
    trioctyl phosphate 189.02
    1-bromopropane 1808.12
    gamma-valerolactone 2340.56
    n-decanol 200.83
    triethyl phosphate 302.85
    4-methyl-2-pentanol 531.18
    propionitrile 1178.35
    vinylene carbonate 920.84
    1,1,2-trichlorotrifluoroethane 1483.74
    DMS 688.91
    cumene 272.05
    2-octanol 261.54
    2-hexanone 1443.63
    octyl acetate 383.44
    limonene 417.84
    1,2-dimethoxyethane 1862.56
    ethyl orthosilicate 300.3
    tributyl phosphate 287.56
    diacetone alcohol 1190.2
    N,N-dimethylaniline 519.86
    acrylonitrile 1409.55
    aniline 915.19
    1,3-propanediol 799.97
    bromobenzene 1243.78
    dibromomethane 2223.49
    1,1,2,2-tetrachloroethane 3192.93
    2-methyl-cyclohexyl acetate 609.11
    tetrabutyl urea 382.54
    diisobutyl methanol 335.45
    2-phenylethanol 664.04
    styrene 659.38
    dioctyl adipate 446.73
    dimethyl sulfate 645.29
    ethyl butyrate 898.02
    methyl lactate 496.21
    butyl lactate 511.36
    diethyl carbonate 498.26
    propanediol butyl ether 618.92
    triethyl orthoformate 492.26
    p-tert-butyltoluene 229.51
    methyl 4-tert-butylbenzoate 495.52
    morpholine 2591.71
    tert-butylamine 984.9
    n-dodecanol 150.46
    dimethoxymethane 1763.91
    ethylene carbonate 757.47
    cyrene 515.99
    2-ethoxyethyl acetate 968.21
    2-ethylhexyl acetate 1026.87
    1,2,4-trichlorobenzene 1001.34
    4-methylpyridine 2133.4
    dibutyl ether 691.7
    2,6-dimethyl-4-heptanol 335.45
    DEF 2144.6
    dimethyl isosorbide 1055.41
    tetrachloroethylene 1649.19
    eugenol 522.64
    triacetin 664.07
    span 80 595.2
    1,4-butanediol 304.59
    1,1-dichloroethane 2303.6
    2-methyl-1-pentanol 1039.99
    methyl formate 712.09
    2-methyl-1-butanol 1244.49
    n-decane 44.96
    butyronitrile 1554.81
    3,7-dimethyl-1-octanol 447.04
    1-chlorooctane 282.68
    1-chlorotetradecane 94.94
    n-nonane 46.44
    undecane 32.46
    tert-butylcyclohexane 135.74
    cyclooctane 80.52
    cyclopentanol 1116.16
    tetrahydropyran 2824.63
    tert-amyl methyl ether 1325.35
    2,5,8-trioxanonane 1076.39
    1-hexene 1088.12
    2-isopropoxyethanol 828.77
    2,2,2-trifluoroethanol 191.08
    methyl butyrate 1537.35

    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