Decanal propylene glycol acetal

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  • Identifiers

    CAS number
    5421-12-5

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCCC1OCC(O1)C

  • Odor profile

    Fragrance
    Citrus 75.83%
    Green 69.58%
    Floral 69.2%
    Fruity 68.25%
    Fatty 60.24%
    Fresh 59.75%
    Herbal 51.62%
    Orange 49.11%
    Waxy 47.1%
    Aldehydic 43.92%

     

    Flavor
    Fatty 50.75%
    Waxy 49.88%
    Green 44.03%
    Oily 40.53%
    Fruity 40.25%
    Creamy 37.79%
    Coconut 34.62%
    Fresh 32.89%
    Sweet 32.49%
    Fat 32.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.58 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 103.86 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 4-Methyl-2-nonyl-1,3-dioxolane
    • 5421-12-5
    • 1,3-Dioxolane, 4-methyl-2-nonyl-
    • Decanal propylene glycol acetal
    • Decanal propyleneglycol acetal
    • Decanal, propylene glycol acetal
    • 2-nonyl-4-methyl-1,3-dioxolane
    • LGT28184O5
    • NSC-6643
    • FEMA NO. 4364
    • DTXSID00863531
    • NSC 6643
    • EINECS 226-536-7
    • AI3-22559
    • DECANAL PROPYLENEGLYCOL ACETAL [FHFI]
    • NSC6643
    • 1, 4-methyl-2-nonyl-
    • UNII-LGT28184O5
    • SCHEMBL8642826
    • DTXCID10812131
    • CHEBI:180102
    • SJLDHKPBFAHHSI-UHFFFAOYSA-N
    • AKOS040751478
    • DB-322655
    • NS00043238
    • (+/-)-DECANAL PROPYLENEGLYCOL ACETAL
    • DECANAL PROPYLENEGLYCOL ACETAL, (+/-)-
    • Q27282975
    • 226-536-7

  • Applications

    Decanal propylene glycol acetal, CAS 5421-12-5, is commonly used as a fragrance ingredient and fixative in perfumery to extend scent longevity and stabilize aroma notes, and it can also function as a solvent or carrier for fragrances in cosmetics and personal care products. It is employed in household products such as air fresheners and cleaners to impart or preserve specific odors. In industrial manufacturing, it may serve as a processing solvent or synthesis intermediate and can be incorporated into coatings, inks, adhesives, and polymer formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5485.48
    methanol 3808.08
    isopropanol 5594.32
    water 0.14
    ethyl acetate 8566.61
    n-propanol 5152.82
    acetone 6827.06
    n-butanol 5474.2
    acetonitrile 4643.08
    DMF 2315.31
    toluene 2700.77
    isobutanol 4437.52
    1,4-dioxane 7931.97
    methyl acetate 4776.77
    THF 10700.3
    2-butanone 5741.63
    n-pentanol 4048.82
    sec-butanol 5331.77
    n-hexane 3053.96
    ethylene glycol 286.34
    NMP 2384.64
    cyclohexane 4485.84
    DMSO 4344.55
    n-butyl acetate 7502.71
    n-octanol 1817.46
    chloroform 13096.22
    n-propyl acetate 6445.23
    acetic acid 2857.33
    dichloromethane 12398.64
    cyclohexanone 8363.96
    propylene glycol 686.57
    isopropyl acetate 6752.12
    DMAc 2382.1
    2-ethoxyethanol 3678.06
    isopentanol 5552.95
    n-heptane 1576.43
    ethyl formate 3011.74
    1,2-dichloroethane 7367.35
    n-hexanol 4310.56
    2-methoxyethanol 4078.11
    isobutyl acetate 3901.81
    tetrachloromethane 2913.26
    n-pentyl acetate 4353.78
    transcutol 9546.8
    n-heptanol 1757.48
    ethylbenzene 1516.27
    MIBK 4082.54
    2-propoxyethanol 4651.93
    tert-butanol 6557.35
    MTBE 9371.95
    2-butoxyethanol 2597.86
    propionic acid 2770.94
    o-xylene 1510.06
    formic acid 400.08
    diethyl ether 10896.18
    m-xylene 1625.9
    p-xylene 1950.89
    chlorobenzene 3354.97
    dimethyl carbonate 914.08
    n-octane 501.05
    formamide 599.07
    cyclopentanone 5958.16
    2-pentanone 6178.08
    anisole 2489.88
    cyclopentyl methyl ether 6760.86
    gamma-butyrolactone 5384.95
    1-methoxy-2-propanol 3860.23
    pyridine 5711.51
    3-pentanone 3952.75
    furfural 3301.75
    n-dodecane 286.48
    diethylene glycol 1634.26
    diisopropyl ether 3599.25
    tert-amyl alcohol 5446.67
    acetylacetone 4961.09
    n-hexadecane 346.49
    acetophenone 2116.39
    methyl propionate 3792.28
    isopentyl acetate 6119.53
    trichloroethylene 9946.3
    n-nonanol 1531.4
    cyclohexanol 5913.03
    benzyl alcohol 1686.66
    2-ethylhexanol 3069.9
    isooctanol 1610.0
    dipropyl ether 5779.64
    1,2-dichlorobenzene 2923.32
    ethyl lactate 1350.68
    propylene carbonate 3467.07
    n-methylformamide 1382.5
    2-pentanol 4609.44
    n-pentane 2148.84
    1-propoxy-2-propanol 4328.32
    1-methoxy-2-propyl acetate 4156.97
    2-(2-methoxypropoxy) propanol 1678.04
    mesitylene 1234.79
    ε-caprolactone 7143.61
    p-cymene 1101.0
    epichlorohydrin 6987.33
    1,1,1-trichloroethane 8188.19
    2-aminoethanol 1022.64
    morpholine-4-carbaldehyde 3313.95
    sulfolane 4581.01
    2,2,4-trimethylpentane 712.68
    2-methyltetrahydrofuran 10310.85
    n-hexyl acetate 4653.26
    isooctane 620.44
    2-(2-butoxyethoxy)ethanol 2534.35
    sec-butyl acetate 4595.61
    tert-butyl acetate 5902.26
    decalin 1128.28
    glycerin 679.79
    diglyme 5275.96
    acrylic acid 1427.83
    isopropyl myristate 1524.73
    n-butyric acid 6110.03
    acetyl acetate 4273.92
    di(2-ethylhexyl) phthalate 881.8
    ethyl propionate 4756.4
    nitromethane 3933.53
    1,2-diethoxyethane 6875.25
    benzonitrile 2760.26
    trioctyl phosphate 753.07
    1-bromopropane 7941.84
    gamma-valerolactone 6367.66
    n-decanol 1016.8
    triethyl phosphate 1280.54
    4-methyl-2-pentanol 2535.2
    propionitrile 4896.02
    vinylene carbonate 2703.69
    1,1,2-trichlorotrifluoroethane 3572.77
    DMS 2005.7
    cumene 1021.91
    2-octanol 1409.45
    2-hexanone 5103.4
    octyl acetate 1664.97
    limonene 2114.17
    1,2-dimethoxyethane 7458.92
    ethyl orthosilicate 1470.78
    tributyl phosphate 1061.56
    diacetone alcohol 3310.94
    N,N-dimethylaniline 1413.26
    acrylonitrile 3458.28
    aniline 2644.76
    1,3-propanediol 2083.02
    bromobenzene 4174.88
    dibromomethane 9753.4
    1,1,2,2-tetrachloroethane 8340.95
    2-methyl-cyclohexyl acetate 2568.02
    tetrabutyl urea 1247.16
    diisobutyl methanol 1648.32
    2-phenylethanol 1781.06
    styrene 2028.3
    dioctyl adipate 1718.56
    dimethyl sulfate 1153.9
    ethyl butyrate 5052.68
    methyl lactate 1053.76
    butyl lactate 1984.09
    diethyl carbonate 2525.22
    propanediol butyl ether 1664.8
    triethyl orthoformate 3154.29
    p-tert-butyltoluene 1039.98
    methyl 4-tert-butylbenzoate 1557.99
    morpholine 9718.54
    tert-butylamine 5451.07
    n-dodecanol 755.09
    dimethoxymethane 3250.29
    ethylene carbonate 3311.64
    cyrene 1094.22
    2-ethoxyethyl acetate 3861.71
    2-ethylhexyl acetate 4562.48
    1,2,4-trichlorobenzene 3077.39
    4-methylpyridine 5615.68
    dibutyl ether 4989.45
    2,6-dimethyl-4-heptanol 1648.32
    DEF 4782.91
    dimethyl isosorbide 2644.12
    tetrachloroethylene 5732.83
    eugenol 1250.17
    triacetin 2605.64
    span 80 1697.84
    1,4-butanediol 953.83
    1,1-dichloroethane 8905.15
    2-methyl-1-pentanol 3469.54
    methyl formate 983.45
    2-methyl-1-butanol 4594.11
    n-decane 574.41
    butyronitrile 6180.67
    3,7-dimethyl-1-octanol 2085.67
    1-chlorooctane 1859.17
    1-chlorotetradecane 631.48
    n-nonane 641.93
    undecane 383.94
    tert-butylcyclohexane 986.77
    cyclooctane 1182.16
    cyclopentanol 4624.37
    tetrahydropyran 13706.33
    tert-amyl methyl ether 5119.94
    2,5,8-trioxanonane 2726.69
    1-hexene 6627.9
    2-isopropoxyethanol 3171.3
    2,2,2-trifluoroethanol 716.65
    methyl butyrate 6356.75

    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