Hexyl isononanoate

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  • Identifiers

    CAS number
    84878-29-5

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCOC(=O)CCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 80.59%
    Oily 71.37%
    Herbal 61.24%
    Winey 59.25%
    Green 57.21%
    Floral 49.24%
    Sweet 47.47%
    Fatty 47.08%
    Cognac 45.88%
    Waxy 41.75%

     

    Flavor
    Waxy 58.64%
    Fruity 57.32%
    Oily 53.01%
    Floral 45.76%
    Green 44.38%
    Soapy 42.93%
    Sweet 39.36%
    Fatty 34.03%
    Clean 32.87%
    Herbal 32.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.77 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 120.8 ˚C est.

  • Synonyms

    • Hexyl isononanoate
    • 84878-29-5
    • HEXYL 7-METHYLOCTANOATE
    • EINECS 284-420-1
    • SCHEMBL21385002
    • LVSHDMOMAPXAMA-UHFFFAOYSA-N
    • DTXSID401005166
    • 84878-29-5

  • Applications

    Hexyl isononanoate (CAS 84878-29-5) is commonly used as an emollient in cosmetics and personal care, and as a solvent or carrier for fragrance oils in perfumery. It also serves as a light solvent and texture-modifying additive in household products, contributing to glide and easy spread. In coatings and inks, it can act as a processing aid or solvent for resins to improve leveling and open time. In polymers and plastics formulations, it may function as a plasticizer or processing aid to influence flexibility and slip. Use is formulation-dependent and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11500.09
    methanol 10074.22
    isopropanol 11367.99
    water 0.07
    ethyl acetate 14778.79
    n-propanol 9018.09
    acetone 20256.61
    n-butanol 8305.72
    acetonitrile 8126.19
    DMF 8682.02
    toluene 3170.08
    isobutanol 7395.17
    1,4-dioxane 9875.32
    methyl acetate 7646.07
    THF 15589.45
    2-butanone 12395.05
    n-pentanol 5039.1
    sec-butanol 8448.81
    n-hexane 2334.3
    ethylene glycol 344.96
    NMP 5926.23
    cyclohexane 3176.02
    DMSO 9594.81
    n-butyl acetate 9927.92
    n-octanol 2002.83
    chloroform 11774.23
    n-propyl acetate 8939.9
    acetic acid 4432.07
    dichloromethane 12579.29
    cyclohexanone 16714.04
    propylene glycol 1034.58
    isopropyl acetate 10327.64
    DMAc 5949.61
    2-ethoxyethanol 4920.82
    isopentanol 8054.57
    n-heptane 838.85
    ethyl formate 5007.57
    1,2-dichloroethane 11116.43
    n-hexanol 4630.82
    2-methoxyethanol 7983.21
    isobutyl acetate 4769.87
    tetrachloromethane 2226.86
    n-pentyl acetate 5536.01
    transcutol 15621.13
    n-heptanol 1886.36
    ethylbenzene 1802.18
    MIBK 7081.09
    2-propoxyethanol 5690.33
    tert-butanol 11708.3
    MTBE 14527.72
    2-butoxyethanol 3378.92
    propionic acid 4253.56
    o-xylene 1960.31
    formic acid 629.24
    diethyl ether 14053.73
    m-xylene 2194.77
    p-xylene 2505.46
    chlorobenzene 4261.42
    dimethyl carbonate 1241.71
    n-octane 323.43
    formamide 1287.84
    cyclopentanone 11531.73
    2-pentanone 13114.16
    anisole 2948.04
    cyclopentyl methyl ether 9273.32
    gamma-butyrolactone 9595.69
    1-methoxy-2-propanol 7045.04
    pyridine 7995.43
    3-pentanone 6521.98
    furfural 5725.79
    n-dodecane 160.96
    diethylene glycol 2213.89
    diisopropyl ether 4067.54
    tert-amyl alcohol 8706.69
    acetylacetone 9645.23
    n-hexadecane 198.5
    acetophenone 2820.16
    methyl propionate 6334.72
    isopentyl acetate 8712.91
    trichloroethylene 14700.2
    n-nonanol 1611.29
    cyclohexanol 8065.15
    benzyl alcohol 2132.98
    2-ethylhexanol 3226.11
    isooctanol 1743.32
    dipropyl ether 5464.51
    1,2-dichlorobenzene 3617.55
    ethyl lactate 1645.87
    propylene carbonate 5347.93
    n-methylformamide 3998.57
    2-pentanol 6690.29
    n-pentane 1371.81
    1-propoxy-2-propanol 5478.36
    1-methoxy-2-propyl acetate 5980.74
    2-(2-methoxypropoxy) propanol 2299.69
    mesitylene 1450.8
    ε-caprolactone 11004.15
    p-cymene 1087.65
    epichlorohydrin 11726.39
    1,1,1-trichloroethane 10558.28
    2-aminoethanol 1619.01
    morpholine-4-carbaldehyde 6211.05
    sulfolane 8791.63
    2,2,4-trimethylpentane 566.48
    2-methyltetrahydrofuran 14949.87
    n-hexyl acetate 6383.98
    isooctane 494.08
    2-(2-butoxyethoxy)ethanol 3619.08
    sec-butyl acetate 6291.87
    tert-butyl acetate 9082.74
    decalin 960.37
    glycerin 956.39
    diglyme 7583.84
    acrylic acid 2063.42
    isopropyl myristate 1662.86
    n-butyric acid 10199.32
    acetyl acetate 5521.44
    di(2-ethylhexyl) phthalate 1080.16
    ethyl propionate 6509.44
    nitromethane 8638.28
    1,2-diethoxyethane 8679.9
    benzonitrile 3724.2
    trioctyl phosphate 858.15
    1-bromopropane 8854.75
    gamma-valerolactone 13788.04
    n-decanol 1028.73
    triethyl phosphate 1305.33
    4-methyl-2-pentanol 3448.68
    propionitrile 6247.83
    vinylene carbonate 3937.69
    1,1,2-trichlorotrifluoroethane 5103.59
    DMS 2673.56
    cumene 1141.15
    2-octanol 1703.7
    2-hexanone 8347.08
    octyl acetate 1982.72
    limonene 2364.93
    1,2-dimethoxyethane 10134.17
    ethyl orthosilicate 1441.82
    tributyl phosphate 1282.35
    diacetone alcohol 6298.07
    N,N-dimethylaniline 1788.06
    acrylonitrile 5147.96
    aniline 3445.44
    1,3-propanediol 3611.11
    bromobenzene 4906.43
    dibromomethane 9752.63
    1,1,2,2-tetrachloroethane 12385.15
    2-methyl-cyclohexyl acetate 2955.47
    tetrabutyl urea 1571.31
    diisobutyl methanol 1851.97
    2-phenylethanol 2244.01
    styrene 2423.13
    dioctyl adipate 2128.99
    dimethyl sulfate 1674.47
    ethyl butyrate 6103.83
    methyl lactate 1640.28
    butyl lactate 2754.8
    diethyl carbonate 2495.42
    propanediol butyl ether 2577.4
    triethyl orthoformate 3079.11
    p-tert-butyltoluene 1043.77
    methyl 4-tert-butylbenzoate 2143.37
    morpholine 14764.77
    tert-butylamine 7512.0
    n-dodecanol 724.37
    dimethoxymethane 5906.18
    ethylene carbonate 4463.6
    cyrene 1601.62
    2-ethoxyethyl acetate 5376.84
    2-ethylhexyl acetate 6150.04
    1,2,4-trichlorobenzene 3729.78
    4-methylpyridine 8704.79
    dibutyl ether 5493.0
    2,6-dimethyl-4-heptanol 1851.97
    DEF 10136.19
    dimethyl isosorbide 3699.86
    tetrachloroethylene 7500.28
    eugenol 1836.23
    triacetin 3359.47
    span 80 2344.05
    1,4-butanediol 1210.05
    1,1-dichloroethane 13002.47
    2-methyl-1-pentanol 4533.89
    methyl formate 2338.66
    2-methyl-1-butanol 6570.99
    n-decane 373.57
    butyronitrile 9099.47
    3,7-dimethyl-1-octanol 2255.34
    1-chlorooctane 1844.19
    1-chlorotetradecane 517.39
    n-nonane 421.7
    undecane 228.88
    tert-butylcyclohexane 849.08
    cyclooctane 710.98
    cyclopentanol 6659.11
    tetrahydropyran 19111.48
    tert-amyl methyl ether 7382.26
    2,5,8-trioxanonane 3713.15
    1-hexene 6736.89
    2-isopropoxyethanol 4043.64
    2,2,2-trifluoroethanol 977.74
    methyl butyrate 9559.99

    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