Nonanal propyleneglycol acetal

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  • Identifiers

    CAS number
    68391-39-9

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCCCC1OCC(O1)C

  • Odor profile

    Fragrance
    Green 78.12%
    Citrus 73.66%
    Fruity 68.47%
    Floral 65.71%
    Fresh 61.17%
    Fatty 60.21%
    Herbal 52.34%
    Orange 47.12%
    Waxy 44.95%
    Aldehydic 42.4%

     

    Flavor
    Green 51.6%
    Fatty 48.99%
    Waxy 46.02%
    Fruity 42.41%
    Oily 40.0%
    Creamy 37.71%
    Sweet 35.02%
    Coconut 34.31%
    Fresh 33.88%
    Mushroom 32.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.75 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 96.15 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • 4-Methyl-2-octyl-1,3-dioxolane
    • Nonanal propyleneglycol acetal
    • 68391-39-9
    • 2-Octyl-4-methyl-1,3-dioxolane
    • 1,3-Dioxolane, 4-methyl-2-octyl-
    • UNII-28H9SFA7YM
    • 28H9SFA7YM
    • nonanal propylene glycol acetal
    • EINECS 269-947-7
    • NSC-21897
    • AI3-30604
    • FEMA NO. 4373
    • DTXSID70867586
    • NSC 21897
    • NONANAL PROPYLENEGLYCOL ACETAL [FHFI]
    • NONANAL PROPYLENEGLYCOL ACETAL, (+/-)-
    • Nonanal PG Acetal
    • NSC21897
    • 1, 4-methyl-2-octyl-
    • SCHEMBL3504699
    • DTXCID90815761
    • AGNUIQKIUPCFET-UHFFFAOYSA-N
    • CHEBI:179753
    • 2-Octyl-4-methyl-1, 3-dioxolane
    • DB-242062
    • NS00063546
    • (+/-), NONANAL PROPYLENEGLYCOL ACETAL
    • (+/-)-, NONANAL PROPYLENEGLYCOL ACETAL
    • Q27254312

  • Applications

    Nonanal propyleneglycol acetal (CAS 68391-39-9) is used primarily as an odorant and a fixative in perfumery to help stabilize and extend aldehydic green notes, and may also serve as an aroma ingredient in flavor formulations; it can be employed as a fragrance component in cosmetics and personal care products, and as a scent additive in household products such as cleaners and air fresheners; in industrial manufacturing, it is often evaluated as an intermediate in the synthesis of other fragrance and flavor chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5951.64
    methanol 4450.69
    isopropanol 5424.75
    water 0.2
    ethyl acetate 7570.04
    n-propanol 5115.97
    acetone 5983.3
    n-butanol 5339.98
    acetonitrile 4677.86
    DMF 1977.02
    toluene 2406.14
    isobutanol 4242.84
    1,4-dioxane 7349.8
    methyl acetate 4267.73
    THF 9448.83
    2-butanone 5033.67
    n-pentanol 4056.01
    sec-butanol 5051.83
    n-hexane 2672.61
    ethylene glycol 361.19
    NMP 1954.13
    cyclohexane 3498.78
    DMSO 4030.36
    n-butyl acetate 6644.42
    n-octanol 1663.2
    chloroform 12458.72
    n-propyl acetate 5425.52
    acetic acid 2993.92
    dichloromethane 11507.5
    cyclohexanone 6884.44
    propylene glycol 791.87
    isopropyl acetate 5795.88
    DMAc 1979.22
    2-ethoxyethanol 3519.77
    isopentanol 5356.51
    n-heptane 1270.46
    ethyl formate 2734.79
    1,2-dichloroethane 6610.16
    n-hexanol 4317.67
    2-methoxyethanol 4070.13
    isobutyl acetate 3269.71
    tetrachloromethane 2528.7
    n-pentyl acetate 3605.61
    transcutol 9154.94
    n-heptanol 1604.59
    ethylbenzene 1309.81
    MIBK 3424.0
    2-propoxyethanol 4601.19
    tert-butanol 6102.77
    MTBE 8279.16
    2-butoxyethanol 2365.17
    propionic acid 2688.23
    o-xylene 1304.6
    formic acid 483.48
    diethyl ether 9867.08
    m-xylene 1434.57
    p-xylene 1673.42
    chlorobenzene 2994.77
    dimethyl carbonate 801.28
    n-octane 404.8
    formamide 671.35
    cyclopentanone 4908.28
    2-pentanone 5233.57
    anisole 2206.97
    cyclopentyl methyl ether 5715.57
    gamma-butyrolactone 4531.83
    1-methoxy-2-propanol 3691.07
    pyridine 5156.45
    3-pentanone 3306.75
    furfural 2986.59
    n-dodecane 246.01
    diethylene glycol 1767.74
    diisopropyl ether 3087.41
    tert-amyl alcohol 4984.64
    acetylacetone 4348.95
    n-hexadecane 292.64
    acetophenone 1835.65
    methyl propionate 3311.2
    isopentyl acetate 5291.14
    trichloroethylene 8981.09
    n-nonanol 1383.67
    cyclohexanol 5217.27
    benzyl alcohol 1605.72
    2-ethylhexanol 2834.49
    isooctanol 1406.1
    dipropyl ether 4902.08
    1,2-dichlorobenzene 2559.62
    ethyl lactate 1194.73
    propylene carbonate 2956.45
    n-methylformamide 1297.26
    2-pentanol 4380.64
    n-pentane 1882.22
    1-propoxy-2-propanol 4038.23
    1-methoxy-2-propyl acetate 3723.94
    2-(2-methoxypropoxy) propanol 1603.88
    mesitylene 1056.43
    ε-caprolactone 5997.93
    p-cymene 932.63
    epichlorohydrin 6201.57
    1,1,1-trichloroethane 7152.26
    2-aminoethanol 1185.26
    morpholine-4-carbaldehyde 2916.12
    sulfolane 3813.0
    2,2,4-trimethylpentane 620.67
    2-methyltetrahydrofuran 9015.71
    n-hexyl acetate 3997.49
    isooctane 539.64
    2-(2-butoxyethoxy)ethanol 2405.68
    sec-butyl acetate 3837.25
    tert-butyl acetate 4879.43
    decalin 929.82
    glycerin 782.12
    diglyme 4713.48
    acrylic acid 1442.89
    isopropyl myristate 1280.34
    n-butyric acid 5757.35
    acetyl acetate 3832.16
    di(2-ethylhexyl) phthalate 797.87
    ethyl propionate 3926.82
    nitromethane 3713.77
    1,2-diethoxyethane 6113.03
    benzonitrile 2543.25
    trioctyl phosphate 651.08
    1-bromopropane 7081.8
    gamma-valerolactone 5354.4
    n-decanol 937.07
    triethyl phosphate 1056.69
    4-methyl-2-pentanol 2333.38
    propionitrile 4570.84
    vinylene carbonate 2368.79
    1,1,2-trichlorotrifluoroethane 3365.3
    DMS 1755.3
    cumene 877.68
    2-octanol 1239.76
    2-hexanone 4387.29
    octyl acetate 1416.79
    limonene 1770.8
    1,2-dimethoxyethane 6621.8
    ethyl orthosilicate 1214.63
    tributyl phosphate 928.34
    diacetone alcohol 2849.9
    N,N-dimethylaniline 1230.65
    acrylonitrile 3317.39
    aniline 2480.75
    1,3-propanediol 2231.51
    bromobenzene 3674.63
    dibromomethane 9081.97
    1,1,2,2-tetrachloroethane 7489.88
    2-methyl-cyclohexyl acetate 2138.93
    tetrabutyl urea 1046.42
    diisobutyl methanol 1425.85
    2-phenylethanol 1718.89
    styrene 1774.87
    dioctyl adipate 1456.41
    dimethyl sulfate 988.51
    ethyl butyrate 4146.22
    methyl lactate 971.04
    butyl lactate 1696.94
    diethyl carbonate 2080.87
    propanediol butyl ether 1580.02
    triethyl orthoformate 2581.37
    p-tert-butyltoluene 884.49
    methyl 4-tert-butylbenzoate 1326.6
    morpholine 8970.33
    tert-butylamine 5056.03
    n-dodecanol 691.44
    dimethoxymethane 2912.63
    ethylene carbonate 2842.33
    cyrene 999.64
    2-ethoxyethyl acetate 3315.12
    2-ethylhexyl acetate 3878.86
    1,2,4-trichlorobenzene 2711.46
    4-methylpyridine 4978.69
    dibutyl ether 4173.41
    2,6-dimethyl-4-heptanol 1425.85
    DEF 4034.42
    dimethyl isosorbide 2366.32
    tetrachloroethylene 5033.19
    eugenol 1112.26
    triacetin 2239.74
    span 80 1604.21
    1,4-butanediol 1005.65
    1,1-dichloroethane 8059.46
    2-methyl-1-pentanol 3429.38
    methyl formate 924.99
    2-methyl-1-butanol 4402.39
    n-decane 479.29
    butyronitrile 5873.46
    3,7-dimethyl-1-octanol 1890.14
    1-chlorooctane 1547.61
    1-chlorotetradecane 543.02
    n-nonane 536.87
    undecane 325.93
    tert-butylcyclohexane 823.77
    cyclooctane 939.74
    cyclopentanol 4102.48
    tetrahydropyran 11894.32
    tert-amyl methyl ether 4436.91
    2,5,8-trioxanonane 2527.94
    1-hexene 6048.07
    2-isopropoxyethanol 3014.92
    2,2,2-trifluoroethanol 710.39
    methyl butyrate 5294.94

    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