2-Nonanone propyleneglycol acetal

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  • Identifiers

    CAS number
    165191-91-3

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCCC1(OCC(O1)C)C

  • Odor profile

    Fragrance
    Fruity 78.68%
    Floral 66.57%
    Fatty 66.45%
    Green 61.61%
    Citrus 56.56%
    Herbal 52.34%
    Fresh 49.31%
    Waxy 44.77%
    Oily 44.67%
    Sweet 36.87%

     

    Flavor
    Green 77.15%
    Earthy 46.4%
    Fruity 38.57%
    Vegetable 37.96%
    Herbal 36.51%
    Tropical 35.13%
    Sweet 31.9%
    Metallic 30.99%
    Fatty 29.59%
    Pepper 28.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.76 (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

    • 87.85 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water; soluble in fats and oils
    • Soluble (in ethanol)

  • Synonyms

    • 2-Nonanone propyleneglycol acetal
    • 2-heptyl-2,4-dimethyl-1,3-dioxolane
    • FEMA no. 4399
    • UNII-6H82GVN5JJ
    • 6H82GVN5JJ
    • 165191-91-3
    • (+/-)-2-Nonanone propyleneglycol acetal
    • 1,3-Dioxolane, 2-heptyl-2,4-dimethyl-
    • 2-Nonanone propyleneglycol acetal, (+/-)-
    • DTXSID80937047
    • 2-HEPTYL-2, 4-DIMETHYL-1,3-DIOXOLANE
    • 2-NONANONE PROPYLENEGLYCOL ACETAL [FHFI]
    • NSC58676
    • SCHEMBL17629026
    • DTXCID301365630
    • NSC-58676
    • Q27264912

  • Applications

    2-Nonanone propyleneglycol acetal, CAS 165191-91-3, is used primarily in fragrance and cosmetic applications as a fragrance ingredient and fixative to enhance scent longevity. It is also commonly employed as a solvent or carrier for actives in personal care formulations and cosmetics. In household products, it may serve as a fragrance solvent in cleaners and air fresheners to improve aroma delivery. In coatings and inks, it can function as a solvent component within the solvent system to aid application and evaporation control. In industrial manufacturing, it can be used as an intermediate or processing solvent in chemical syntheses, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8331.09
    methanol 6745.84
    isopropanol 6790.01
    water 1.7
    ethyl acetate 8326.97
    n-propanol 6652.09
    acetone 6152.87
    n-butanol 6896.42
    acetonitrile 5088.74
    DMF 3347.1
    toluene 3661.93
    isobutanol 6006.9
    1,4-dioxane 9730.51
    methyl acetate 5273.07
    THF 10490.22
    2-butanone 5637.96
    n-pentanol 5125.66
    sec-butanol 6309.06
    n-hexane 3355.66
    ethylene glycol 714.64
    NMP 3351.05
    cyclohexane 4380.17
    DMSO 4292.0
    n-butyl acetate 7725.56
    n-octanol 2890.46
    chloroform 14334.57
    n-propyl acetate 5306.22
    acetic acid 4333.63
    dichloromethane 11717.82
    cyclohexanone 8661.89
    propylene glycol 1276.85
    isopropyl acetate 6842.84
    DMAc 3684.47
    2-ethoxyethanol 4153.33
    isopentanol 6853.6
    n-heptane 1669.93
    ethyl formate 3317.26
    1,2-dichloroethane 6620.05
    n-hexanol 6535.53
    2-methoxyethanol 5087.25
    isobutyl acetate 3845.32
    tetrachloromethane 3164.24
    n-pentyl acetate 4514.92
    transcutol 11991.77
    n-heptanol 2470.84
    ethylbenzene 1895.75
    MIBK 4062.62
    2-propoxyethanol 6161.41
    tert-butanol 7953.38
    MTBE 10962.08
    2-butoxyethanol 3059.89
    propionic acid 3854.64
    o-xylene 2001.21
    formic acid 989.05
    diethyl ether 10842.9
    m-xylene 2240.96
    p-xylene 2481.47
    chlorobenzene 4073.54
    dimethyl carbonate 1390.73
    n-octane 596.43
    formamide 1172.53
    cyclopentanone 5800.28
    2-pentanone 5823.36
    anisole 2766.89
    cyclopentyl methyl ether 7058.91
    gamma-butyrolactone 5828.62
    1-methoxy-2-propanol 4669.1
    pyridine 6028.37
    3-pentanone 4167.22
    furfural 3727.91
    n-dodecane 402.38
    diethylene glycol 2605.63
    diisopropyl ether 4002.04
    tert-amyl alcohol 6751.69
    acetylacetone 5094.56
    n-hexadecane 468.09
    acetophenone 2255.49
    methyl propionate 4329.31
    isopentyl acetate 6764.65
    trichloroethylene 9659.34
    n-nonanol 2382.05
    cyclohexanol 6993.5
    benzyl alcohol 2034.15
    2-ethylhexanol 4021.79
    isooctanol 2056.3
    dipropyl ether 5363.75
    1,2-dichlorobenzene 3319.24
    ethyl lactate 1362.33
    propylene carbonate 3751.87
    n-methylformamide 2052.49
    2-pentanol 5668.59
    n-pentane 2342.94
    1-propoxy-2-propanol 4737.29
    1-methoxy-2-propyl acetate 4840.01
    2-(2-methoxypropoxy) propanol 2350.21
    mesitylene 1557.77
    ε-caprolactone 7823.84
    p-cymene 1284.02
    epichlorohydrin 6781.75
    1,1,1-trichloroethane 8254.13
    2-aminoethanol 1904.88
    morpholine-4-carbaldehyde 4501.41
    sulfolane 5025.12
    2,2,4-trimethylpentane 1052.88
    2-methyltetrahydrofuran 10568.56
    n-hexyl acetate 6201.72
    isooctane 820.82
    2-(2-butoxyethoxy)ethanol 3482.44
    sec-butyl acetate 4240.03
    tert-butyl acetate 6084.5
    decalin 1452.33
    glycerin 1341.97
    diglyme 5841.09
    acrylic acid 2143.6
    isopropyl myristate 1918.86
    n-butyric acid 7295.86
    acetyl acetate 4793.5
    di(2-ethylhexyl) phthalate 1238.73
    ethyl propionate 4173.56
    nitromethane 4635.13
    1,2-diethoxyethane 7265.71
    benzonitrile 3126.33
    trioctyl phosphate 1010.83
    1-bromopropane 7229.93
    gamma-valerolactone 6746.79
    n-decanol 1612.98
    triethyl phosphate 1281.3
    4-methyl-2-pentanol 3113.86
    propionitrile 5166.05
    vinylene carbonate 3267.81
    1,1,2-trichlorotrifluoroethane 4098.08
    DMS 2638.45
    cumene 1300.14
    2-octanol 1988.59
    2-hexanone 4558.78
    octyl acetate 2268.87
    limonene 2479.14
    1,2-dimethoxyethane 7391.05
    ethyl orthosilicate 1472.02
    tributyl phosphate 1431.49
    diacetone alcohol 3561.61
    N,N-dimethylaniline 1758.91
    acrylonitrile 3777.09
    aniline 3203.17
    1,3-propanediol 3167.82
    bromobenzene 4803.57
    dibromomethane 9649.72
    1,1,2,2-tetrachloroethane 8852.7
    2-methyl-cyclohexyl acetate 2733.03
    tetrabutyl urea 1642.1
    diisobutyl methanol 1810.17
    2-phenylethanol 2458.29
    styrene 2361.02
    dioctyl adipate 2142.55
    dimethyl sulfate 1623.73
    ethyl butyrate 4310.76
    methyl lactate 1365.22
    butyl lactate 2157.22
    diethyl carbonate 2269.58
    propanediol butyl ether 2394.31
    triethyl orthoformate 2783.89
    p-tert-butyltoluene 1262.36
    methyl 4-tert-butylbenzoate 1989.92
    morpholine 10395.72
    tert-butylamine 6406.93
    n-dodecanol 1184.33
    dimethoxymethane 3992.55
    ethylene carbonate 3844.05
    cyrene 1393.48
    2-ethoxyethyl acetate 4288.59
    2-ethylhexyl acetate 5399.34
    1,2,4-trichlorobenzene 3581.32
    4-methylpyridine 6171.43
    dibutyl ether 5154.2
    2,6-dimethyl-4-heptanol 1810.17
    DEF 5238.64
    dimethyl isosorbide 3263.61
    tetrachloroethylene 5682.37
    eugenol 1541.01
    triacetin 3251.53
    span 80 2237.05
    1,4-butanediol 1425.5
    1,1-dichloroethane 8372.14
    2-methyl-1-pentanol 4597.41
    methyl formate 1513.19
    2-methyl-1-butanol 6053.69
    n-decane 757.54
    butyronitrile 6330.48
    3,7-dimethyl-1-octanol 2856.87
    1-chlorooctane 2401.06
    1-chlorotetradecane 883.49
    n-nonane 843.19
    undecane 522.28
    tert-butylcyclohexane 1354.71
    cyclooctane 1380.39
    cyclopentanol 5215.22
    tetrahydropyran 13196.77
    tert-amyl methyl ether 6323.27
    2,5,8-trioxanonane 3428.66
    1-hexene 6731.86
    2-isopropoxyethanol 3573.94
    2,2,2-trifluoroethanol 1152.58
    methyl butyrate 5340.82

    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