Isononyl propionate

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  • Identifiers

    CAS number
    65155-45-5

    Molecular formula
    C12H24O2

    SMILES
    CCC(=O)OCCCCCCC(C)C

  • Odor profile

    Fragrance
    Fruity 71.29%
    Floral 64.24%
    Sweet 61.23%
    Herbal 59.67%
    Rose 53.93%
    Oily 52.32%
    Fresh 46.07%
    Waxy 45.35%
    Green 45.0%
    Woody 43.57%

     

    Flavor
    Fruity 64.45%
    Green 61.88%
    Waxy 61.42%
    Floral 60.72%
    Sweet 47.39%
    Rose 47.37%
    Oily 42.98%
    Tropical 42.47%
    Soapy 39.4%
    Clean 38.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.33 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 95.93 ˚C est.

  • Synonyms

    • Isononyl propionate
    • 7-methyloctyl propanoate
    • 65155-45-5
    • Propanoic acid, isononyl ester
    • UNII-2Q1Q742V5W
    • 2Q1Q742V5W
    • EINECS 265-573-3
    • ISONONYL PROPANOATE
    • DTXSID1070270
    • 7-methyloctyl propionate
    • SCHEMBL3506195
    • DTXCID8044545
    • KOODESFNSDRUNJ-UHFFFAOYSA-N
    • NS00012709
    • Q27255446
    • 265-573-3

  • Applications

    Isononyl propionate, CAS 65155-45-5, is primarily used as a solvent and plasticizer in cosmetics and personal care formulations, helping dissolve and disperse active ingredients and improve skin feel. In perfumery, it serves as a diluent and may act as a fixative to help stabilize and extend fragrance longevity. In coatings, inks, and adhesives, it is used as a solvent and plasticizer for polymers, aiding processing, flow, and film properties. It is also employed as a plasticizer for PVC and other polymers. Additionally, it may be used as a cleaning solvent in industrial formulations for degreasing and formulation work. The exact use depends on formulation requirements and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9414.79
    methanol 8904.82
    isopropanol 8836.15
    water 0.13
    ethyl acetate 8165.13
    n-propanol 7203.27
    acetone 11498.69
    n-butanol 6290.89
    acetonitrile 6587.91
    DMF 4494.9
    toluene 2016.76
    isobutanol 5410.18
    1,4-dioxane 6853.6
    methyl acetate 4867.15
    THF 9327.02
    2-butanone 7477.78
    n-pentanol 4645.17
    sec-butanol 6699.23
    n-hexane 2111.26
    ethylene glycol 312.05
    NMP 2841.96
    cyclohexane 1901.37
    DMSO 4993.4
    n-butyl acetate 6628.02
    n-octanol 1605.54
    chloroform 9195.74
    n-propyl acetate 5635.09
    acetic acid 3438.36
    dichloromethane 8515.87
    cyclohexanone 8769.73
    propylene glycol 836.15
    isopropyl acetate 5443.15
    DMAc 3011.39
    2-ethoxyethanol 3995.68
    isopentanol 5854.7
    n-heptane 599.49
    ethyl formate 3488.12
    1,2-dichloroethane 5782.85
    n-hexanol 4134.39
    2-methoxyethanol 5320.69
    isobutyl acetate 3047.77
    tetrachloromethane 1686.29
    n-pentyl acetate 3376.39
    transcutol 9740.74
    n-heptanol 1499.96
    ethylbenzene 1257.81
    MIBK 3721.62
    2-propoxyethanol 4563.79
    tert-butanol 9006.04
    MTBE 9757.99
    2-butoxyethanol 2451.19
    propionic acid 2931.4
    o-xylene 1192.29
    formic acid 546.83
    diethyl ether 9763.91
    m-xylene 1317.76
    p-xylene 1695.74
    chlorobenzene 2683.57
    dimethyl carbonate 630.43
    n-octane 231.0
    formamide 876.93
    cyclopentanone 5999.25
    2-pentanone 7253.75
    anisole 2073.43
    cyclopentyl methyl ether 5358.45
    gamma-butyrolactone 5028.02
    1-methoxy-2-propanol 4258.08
    pyridine 5282.09
    3-pentanone 3527.28
    furfural 3442.46
    n-dodecane 120.01
    diethylene glycol 1709.55
    diisopropyl ether 2439.27
    tert-amyl alcohol 6798.2
    acetylacetone 4721.22
    n-hexadecane 144.67
    acetophenone 1765.97
    methyl propionate 3404.27
    isopentyl acetate 5379.56
    trichloroethylene 8302.3
    n-nonanol 1259.57
    cyclohexanol 5146.76
    benzyl alcohol 1618.02
    2-ethylhexanol 2535.16
    isooctanol 1351.64
    dipropyl ether 3841.08
    1,2-dichlorobenzene 2157.38
    ethyl lactate 1074.31
    propylene carbonate 2921.17
    n-methylformamide 2370.03
    2-pentanol 4882.47
    n-pentane 1076.07
    1-propoxy-2-propanol 4034.32
    1-methoxy-2-propyl acetate 3498.73
    2-(2-methoxypropoxy) propanol 1621.9
    mesitylene 878.79
    ε-caprolactone 6166.18
    p-cymene 727.3
    epichlorohydrin 6552.82
    1,1,1-trichloroethane 6370.58
    2-aminoethanol 1324.02
    morpholine-4-carbaldehyde 3668.44
    sulfolane 4328.47
    2,2,4-trimethylpentane 415.22
    2-methyltetrahydrofuran 9072.54
    n-hexyl acetate 3778.86
    isooctane 345.68
    2-(2-butoxyethoxy)ethanol 2512.96
    sec-butyl acetate 3787.7
    tert-butyl acetate 4822.87
    decalin 637.31
    glycerin 745.2
    diglyme 4672.77
    acrylic acid 1558.11
    isopropyl myristate 1030.88
    n-butyric acid 6729.88
    acetyl acetate 2957.27
    di(2-ethylhexyl) phthalate 740.14
    ethyl propionate 3764.74
    nitromethane 4999.52
    1,2-diethoxyethane 5363.7
    benzonitrile 2728.02
    trioctyl phosphate 583.28
    1-bromopropane 5554.36
    gamma-valerolactone 7415.21
    n-decanol 794.65
    triethyl phosphate 826.08
    4-methyl-2-pentanol 2321.59
    propionitrile 4799.37
    vinylene carbonate 2331.48
    1,1,2-trichlorotrifluoroethane 3333.82
    DMS 1509.14
    cumene 815.4
    2-octanol 1294.18
    2-hexanone 5565.45
    octyl acetate 1215.67
    limonene 1425.24
    1,2-dimethoxyethane 7587.37
    ethyl orthosilicate 923.75
    tributyl phosphate 836.95
    diacetone alcohol 3494.32
    N,N-dimethylaniline 1179.44
    acrylonitrile 3925.61
    aniline 2378.01
    1,3-propanediol 2554.31
    bromobenzene 2998.36
    dibromomethane 6795.51
    1,1,2,2-tetrachloroethane 7110.68
    2-methyl-cyclohexyl acetate 1931.18
    tetrabutyl urea 948.73
    diisobutyl methanol 1277.83
    2-phenylethanol 1669.26
    styrene 1727.79
    dioctyl adipate 1321.55
    dimethyl sulfate 834.68
    ethyl butyrate 3570.87
    methyl lactate 917.44
    butyl lactate 1709.95
    diethyl carbonate 1620.9
    propanediol butyl ether 1829.35
    triethyl orthoformate 1909.76
    p-tert-butyltoluene 681.94
    methyl 4-tert-butylbenzoate 1279.55
    morpholine 10002.41
    tert-butylamine 5808.59
    n-dodecanol 555.2
    dimethoxymethane 3195.07
    ethylene carbonate 2433.53
    cyrene 1125.48
    2-ethoxyethyl acetate 3056.39
    2-ethylhexyl acetate 3769.06
    1,2,4-trichlorobenzene 2280.93
    4-methylpyridine 5661.2
    dibutyl ether 3428.79
    2,6-dimethyl-4-heptanol 1277.83
    DEF 5405.27
    dimethyl isosorbide 2328.35
    tetrachloroethylene 4589.49
    eugenol 1217.23
    triacetin 1968.66
    span 80 1645.28
    1,4-butanediol 1044.57
    1,1-dichloroethane 8036.63
    2-methyl-1-pentanol 3928.71
    methyl formate 1381.54
    2-methyl-1-butanol 4884.84
    n-decane 280.03
    butyronitrile 6706.53
    3,7-dimethyl-1-octanol 1677.25
    1-chlorooctane 1241.62
    1-chlorotetradecane 354.58
    n-nonane 312.47
    undecane 171.86
    tert-butylcyclohexane 603.89
    cyclooctane 437.1
    cyclopentanol 4424.91
    tetrahydropyran 11809.11
    tert-amyl methyl ether 4949.16
    2,5,8-trioxanonane 2487.46
    1-hexene 6221.08
    2-isopropoxyethanol 3183.06
    2,2,2-trifluoroethanol 647.8
    methyl butyrate 5806.42

    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