Non-3-enyl acetate

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  • Identifiers

    CAS number
    36809-53-7

    Molecular formula
    C11H20O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.54%
    Green 80.86%
    Waxy 71.5%
    Fatty 71.16%
    Melon 62.22%
    Pear 58.95%
    Citrus 56.57%
    Fresh 55.59%
    Tropical 49.48%
    Cucumber 46.81%

     

    Flavor
    Waxy 60.1%
    Green 59.96%
    Fresh 50.02%
    Rose 49.2%
    Floral 46.64%
    Fruity 45.35%
    Tropical 39.67%
    Sweet 36.25%
    Pear 35.82%
    Melon 34.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.39 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 101.06 ˚C est.

  • Synonyms

    • Non-3-enyl acetate
    • EINECS 253-224-8
    • 36809-53-7
    • RefChem:365764
    • 253-224-8
    • [(E)-non-3-enyl] acetate
    • Acetic acid (E)-3-nonenyl ester
    • 13049-89-3
    • 3-nonenyl acetate
    • SCHEMBL4955671
    • LRQNQAVSERJKNU-BQYQJAHWSA-N
    • 36809-53-7

  • Applications

    Non-3-enyl acetate, CAS 36809-53-7, is primarily used as an odorant in perfumery, serving as a fragrance ingredient and can function as a fixative in certain formulations. In cosmetics and personal care, it is employed as a fragrance component; in household and cleaning products, it contributes a pleasant aroma. In coatings, inks, and related materials, it may be added as an odorant to improve scent profiles. It may be evaluated for use as a flavor/aroma ingredient in food processing under applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2258.29
    methanol 2382.03
    isopropanol 1579.81
    water 0.11
    ethyl acetate 1203.8
    n-propanol 1532.03
    acetone 2022.87
    n-butanol 1302.11
    acetonitrile 1070.75
    DMF 1506.19
    toluene 558.76
    isobutanol 988.42
    1,4-dioxane 1975.25
    methyl acetate 872.99
    THF 2774.2
    2-butanone 1336.81
    n-pentanol 1049.99
    sec-butanol 1228.31
    n-hexane 402.17
    ethylene glycol 218.01
    NMP 1111.03
    cyclohexane 362.54
    DMSO 2523.58
    n-butyl acetate 885.77
    n-octanol 285.51
    chloroform 2311.95
    n-propyl acetate 754.37
    acetic acid 996.92
    dichloromethane 2066.91
    cyclohexanone 1692.27
    propylene glycol 476.43
    isopropyl acetate 759.96
    DMAc 1163.94
    2-ethoxyethanol 1243.59
    isopentanol 1016.44
    n-heptane 104.45
    ethyl formate 462.44
    1,2-dichloroethane 1461.35
    n-hexanol 885.68
    2-methoxyethanol 1739.13
    isobutyl acetate 475.39
    tetrachloromethane 324.55
    n-pentyl acetate 433.96
    transcutol 3840.07
    n-heptanol 248.69
    ethylbenzene 284.92
    MIBK 657.49
    2-propoxyethanol 1229.59
    tert-butanol 1819.12
    MTBE 1617.53
    2-butoxyethanol 500.51
    propionic acid 728.12
    o-xylene 293.82
    formic acid 236.55
    diethyl ether 1938.22
    m-xylene 352.83
    p-xylene 317.67
    chlorobenzene 581.73
    dimethyl carbonate 198.5
    n-octane 31.97
    formamide 327.55
    cyclopentanone 1526.35
    2-pentanone 1246.47
    anisole 564.57
    cyclopentyl methyl ether 1469.74
    gamma-butyrolactone 1241.12
    1-methoxy-2-propanol 1310.0
    pyridine 1412.09
    3-pentanone 769.66
    furfural 893.84
    n-dodecane 22.4
    diethylene glycol 706.25
    diisopropyl ether 405.2
    tert-amyl alcohol 1354.14
    acetylacetone 1006.4
    n-hexadecane 26.32
    acetophenone 459.22
    methyl propionate 755.69
    isopentyl acetate 763.7
    trichloroethylene 2061.97
    n-nonanol 248.4
    cyclohexanol 1163.27
    benzyl alcohol 482.78
    2-ethylhexanol 489.45
    isooctanol 215.8
    dipropyl ether 653.12
    1,2-dichlorobenzene 478.24
    ethyl lactate 270.55
    propylene carbonate 608.4
    n-methylformamide 637.86
    2-pentanol 862.35
    n-pentane 212.09
    1-propoxy-2-propanol 905.32
    1-methoxy-2-propyl acetate 736.65
    2-(2-methoxypropoxy) propanol 601.04
    mesitylene 226.16
    ε-caprolactone 1184.53
    p-cymene 149.07
    epichlorohydrin 1751.17
    1,1,1-trichloroethane 1214.7
    2-aminoethanol 654.95
    morpholine-4-carbaldehyde 1120.71
    sulfolane 1540.91
    2,2,4-trimethylpentane 89.59
    2-methyltetrahydrofuran 2275.75
    n-hexyl acetate 623.02
    isooctane 67.56
    2-(2-butoxyethoxy)ethanol 843.61
    sec-butyl acetate 522.72
    tert-butyl acetate 829.43
    decalin 153.56
    glycerin 477.8
    diglyme 1357.11
    acrylic acid 473.84
    isopropyl myristate 216.8
    n-butyric acid 1151.74
    acetyl acetate 543.05
    di(2-ethylhexyl) phthalate 208.15
    ethyl propionate 600.36
    nitromethane 1256.74
    1,2-diethoxyethane 1239.11
    benzonitrile 538.43
    trioctyl phosphate 139.71
    1-bromopropane 1243.64
    gamma-valerolactone 1574.64
    n-decanol 172.8
    triethyl phosphate 220.35
    4-methyl-2-pentanol 419.68
    propionitrile 832.15
    vinylene carbonate 479.85
    1,1,2-trichlorotrifluoroethane 1140.6
    DMS 424.67
    cumene 183.17
    2-octanol 186.35
    2-hexanone 893.52
    octyl acetate 265.98
    limonene 293.49
    1,2-dimethoxyethane 1665.43
    ethyl orthosilicate 239.22
    tributyl phosphate 208.18
    diacetone alcohol 804.64
    N,N-dimethylaniline 372.87
    acrylonitrile 779.51
    aniline 725.12
    1,3-propanediol 863.84
    bromobenzene 661.79
    dibromomethane 1602.43
    1,1,2,2-tetrachloroethane 1953.45
    2-methyl-cyclohexyl acetate 439.14
    tetrabutyl urea 262.35
    diisobutyl methanol 239.53
    2-phenylethanol 457.97
    styrene 403.18
    dioctyl adipate 349.94
    dimethyl sulfate 340.7
    ethyl butyrate 545.85
    methyl lactate 328.94
    butyl lactate 336.54
    diethyl carbonate 310.68
    propanediol butyl ether 557.18
    triethyl orthoformate 370.1
    p-tert-butyltoluene 151.28
    methyl 4-tert-butylbenzoate 361.97
    morpholine 2858.7
    tert-butylamine 1155.48
    n-dodecanol 127.72
    dimethoxymethane 1041.27
    ethylene carbonate 442.07
    cyrene 434.88
    2-ethoxyethyl acetate 609.98
    2-ethylhexyl acetate 585.0
    1,2,4-trichlorobenzene 566.68
    4-methylpyridine 1283.42
    dibutyl ether 570.65
    2,6-dimethyl-4-heptanol 239.53
    DEF 1093.72
    dimethyl isosorbide 827.31
    tetrachloroethylene 1170.64
    eugenol 365.92
    triacetin 553.62
    span 80 536.77
    1,4-butanediol 356.16
    1,1-dichloroethane 1490.69
    2-methyl-1-pentanol 863.25
    methyl formate 341.25
    2-methyl-1-butanol 980.54
    n-decane 42.69
    butyronitrile 961.78
    3,7-dimethyl-1-octanol 324.85
    1-chlorooctane 212.13
    1-chlorotetradecane 73.08
    n-nonane 45.79
    undecane 29.6
    tert-butylcyclohexane 133.86
    cyclooctane 94.44
    cyclopentanol 1046.85
    tetrahydropyran 2631.77
    tert-amyl methyl ether 1021.66
    2,5,8-trioxanonane 949.19
    1-hexene 1110.24
    2-isopropoxyethanol 841.87
    2,2,2-trifluoroethanol 182.84
    methyl butyrate 780.7

    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