Acetic acid, isononyl ester

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  • Identifiers

    CAS number
    40379-24-6

    Molecular formula
    C11H22O2

    SMILES
    CC(C)CCCCCCOC(=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 77.9%
    Fruity 75.96%
    Floral 72.84%
    Herbal 63.43%
    Fresh 61.29%
    Rose 57.21%
    Woody 52.8%
    Citrus 52.07%
    Green 49.61%
    Waxy 47.16%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.47 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    220°C

    Flash point est.
    88.77 ˚C

  • Synonyms

    • Isononyl acetate
    • 40379-24-6
    • 7-methyloctyl acetate
    • Acetic acid, isononyl ester
    • UNII-Z6Z59LRU9X
    • Z6Z59LRU9X
    • (-)-isononyl acetate
    • EINECS 254-898-6
    • (+/-)-isononyl acetate
    • EXXATE 900
    • 135835-66-4
    • 135835-72-2
    • DTXSID4041577
    • ISONONYL ALCOHOL, ACETATE
    • SCHEMBL757134
    • DTXCID2021577
    • LJSJTXAZFHYHMM-UHFFFAOYSA-N
    • DB-265295
    • NS00012708
    • Q27295086

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6813.58
    methanol 6433.24
    isopropanol 5957.92
    water 0.25
    ethyl acetate 3713.82
    n-propanol 4645.6
    acetone 6582.21
    n-butanol 3913.75
    acetonitrile 3127.5
    DMF 3164.91
    toluene 994.36
    isobutanol 3365.24
    1,4-dioxane 4573.58
    methyl acetate 2567.25
    THF 6277.56
    2-butanone 3938.82
    n-pentanol 2740.24
    sec-butanol 3928.43
    n-hexane 1219.72
    ethylene glycol 422.54
    NMP 1976.25
    cyclohexane 942.29
    DMSO 3661.29
    n-butyl acetate 2553.57
    n-octanol 855.97
    chloroform 5167.77
    n-propyl acetate 2284.93
    acetic acid 2442.13
    dichloromethane 3947.89
    cyclohexanone 4529.14
    propylene glycol 1088.6
    isopropyl acetate 2466.1
    DMAc 2006.94
    2-ethoxyethanol 2554.36
    isopentanol 3354.46
    n-heptane 309.56
    ethyl formate 1564.3
    1,2-dichloroethane 2725.77
    n-hexanol 2559.18
    2-methoxyethanol 3971.09
    isobutyl acetate 1317.95
    tetrachloromethane 861.5
    n-pentyl acetate 1345.41
    transcutol 6227.47
    n-heptanol 804.96
    ethylbenzene 599.39
    MIBK 1894.36
    2-propoxyethanol 2927.58
    tert-butanol 6193.41
    MTBE 5039.34
    2-butoxyethanol 1369.1
    propionic acid 2132.07
    o-xylene 602.43
    formic acid 486.79
    diethyl ether 4726.12
    m-xylene 720.79
    p-xylene 765.69
    chlorobenzene 1259.53
    dimethyl carbonate 360.97
    n-octane 106.72
    formamide 650.32
    cyclopentanone 3656.62
    2-pentanone 3445.69
    anisole 1097.47
    cyclopentyl methyl ether 3252.25
    gamma-butyrolactone 3080.5
    1-methoxy-2-propanol 3222.57
    pyridine 2670.11
    3-pentanone 1841.57
    furfural 2018.1
    n-dodecane 62.88
    diethylene glycol 1396.66
    diisopropyl ether 1157.18
    tert-amyl alcohol 4133.32
    acetylacetone 2474.97
    n-hexadecane 74.38
    acetophenone 869.95
    methyl propionate 1849.01
    isopentyl acetate 2171.12
    trichloroethylene 4025.32
    n-nonanol 687.13
    cyclohexanol 3340.33
    benzyl alcohol 948.38
    2-ethylhexanol 1362.53
    isooctanol 681.62
    dipropyl ether 1890.32
    1,2-dichlorobenzene 995.76
    ethyl lactate 634.91
    propylene carbonate 1633.85
    n-methylformamide 1547.91
    2-pentanol 2757.42
    n-pentane 567.87
    1-propoxy-2-propanol 2425.26
    1-methoxy-2-propyl acetate 1839.02
    2-(2-methoxypropoxy) propanol 1058.31
    mesitylene 482.81
    ε-caprolactone 3226.76
    p-cymene 341.36
    epichlorohydrin 3703.78
    1,1,1-trichloroethane 3114.6
    2-aminoethanol 1417.72
    morpholine-4-carbaldehyde 2392.18
    sulfolane 3020.49
    2,2,4-trimethylpentane 210.02
    2-methyltetrahydrofuran 5512.92
    n-hexyl acetate 1811.24
    isooctane 179.58
    2-(2-butoxyethoxy)ethanol 1682.9
    sec-butyl acetate 1538.2
    tert-butyl acetate 2393.33
    decalin 334.76
    glycerin 895.72
    diglyme 2836.8
    acrylic acid 1156.67
    isopropyl myristate 529.63
    n-butyric acid 3779.98
    acetyl acetate 1414.72
    di(2-ethylhexyl) phthalate 426.55
    ethyl propionate 1646.9
    nitromethane 2961.56
    1,2-diethoxyethane 2560.09
    benzonitrile 1276.08
    trioctyl phosphate 331.98
    1-bromopropane 2551.15
    gamma-valerolactone 4335.74
    n-decanol 452.02
    triethyl phosphate 421.23
    4-methyl-2-pentanol 1278.19
    propionitrile 2434.09
    vinylene carbonate 1287.48
    1,1,2-trichlorotrifluoroethane 2276.54
    DMS 806.14
    cumene 397.59
    2-octanol 638.75
    2-hexanone 2580.47
    octyl acetate 630.72
    limonene 699.39
    1,2-dimethoxyethane 4167.8
    ethyl orthosilicate 470.49
    tributyl phosphate 456.96
    diacetone alcohol 2219.07
    N,N-dimethylaniline 643.88
    acrylonitrile 2071.7
    aniline 1446.07
    1,3-propanediol 2129.9
    bromobenzene 1363.9
    dibromomethane 3145.39
    1,1,2,2-tetrachloroethane 3831.81
    2-methyl-cyclohexyl acetate 958.4
    tetrabutyl urea 529.46
    diisobutyl methanol 667.26
    2-phenylethanol 961.98
    styrene 783.26
    dioctyl adipate 735.96
    dimethyl sulfate 536.19
    ethyl butyrate 1489.91
    methyl lactate 700.42
    butyl lactate 870.62
    diethyl carbonate 707.76
    propanediol butyl ether 1274.29
    triethyl orthoformate 895.63
    p-tert-butyltoluene 352.37
    methyl 4-tert-butylbenzoate 732.32
    morpholine 6489.7
    tert-butylamine 3659.97
    n-dodecanol 319.83
    dimethoxymethane 1912.66
    ethylene carbonate 1296.94
    cyrene 763.32
    2-ethoxyethyl acetate 1407.47
    2-ethylhexyl acetate 1546.8
    1,2,4-trichlorobenzene 1151.42
    4-methylpyridine 2762.95
    dibutyl ether 1636.64
    2,6-dimethyl-4-heptanol 667.26
    DEF 2655.5
    dimethyl isosorbide 1485.67
    tetrachloroethylene 2329.02
    eugenol 712.88
    triacetin 1145.68
    span 80 1094.98
    1,4-butanediol 783.68
    1,1-dichloroethane 3889.32
    2-methyl-1-pentanol 2104.6
    methyl formate 879.0
    2-methyl-1-butanol 2806.74
    n-decane 135.65
    butyronitrile 3118.15
    3,7-dimethyl-1-octanol 926.54
    1-chlorooctane 590.46
    1-chlorotetradecane 181.28
    n-nonane 152.87
    undecane 88.01
    tert-butylcyclohexane 325.72
    cyclooctane 228.49
    cyclopentanol 3172.89
    tetrahydropyran 6650.38
    tert-amyl methyl ether 2636.2
    2,5,8-trioxanonane 1613.18
    1-hexene 3208.07
    2-isopropoxyethanol 1921.6
    2,2,2-trifluoroethanol 492.89
    methyl butyrate 2383.77

    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