Acetoin propyleneglycol ketal

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  • Identifiers

    CAS number
    94089-23-3

    Molecular formula
    C7H14O3

    SMILES
    CC1COC(O1)(C)C(C)O

  • Odor profile

    Fragrance
    Fruity 84.86%
    Buttery 60.71%
    Fatty 49.32%
    Dairy 37.22%
    Caramellic 36.47%
    Milky 35.06%
    Creamy 33.98%
    Ethereal 32.83%
    Nutty 29.8%
    Sweet 22.99%

     

    Flavor
    Vegetable 40.62%
    Green 38.09%
    Earthy 34.78%
    Potato 29.33%
    Musty 28.65%
    Roasted 28.56%
    Nutty 27.46%
    Sulfurous 25.52%
    Caramel 25.27%
    Sweet 24.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    8.25 (weak base)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    186°C

    Flash point

    • 71.08 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Acetoin propyleneglycol ketal
    • 94089-23-3
    • 1-(2,4-dimethyl-1,3-dioxolan-2-yl)ethanol
    • EINECS 302-123-8
    • F5N0OZ3A07
    • UNII-F5N0OZ3A07
    • alpha-2,4-Trimethyl-1,3-dioxolane-2-methanol
    • acetoin propylene glycol acetal
    • FEMA NO. 4532
    • (+/-)-ACETOIN PROPYLENEGLYCOL KETAL
    • ACETOIN PROPYLENEGLYCOL KETAL, (+/-)-
    • 1,3-DIOXOLANE-2-METHANOL, .ALPHA.,2,4-TRIMETHYL-
    • SCHEMBL1245847
    • DTXSID10869185
    • ZLBNMXMVFWMHAV-UHFFFAOYSA-N
    • NS00127240
    • 1-(2,4-Dimethyl-1,3-dioxolan-2-yl)ethan-1-ol
    • Q27277676
    • 1,3-DIOXOLANE-2-METHANOL, ALPHA,2,4-TRIMETHYL-

  • Applications

    Acetoin propyleneglycol ketal (CAS 94089-23-3) is primarily encountered as a fragrance-related ingredient, functioning as a fragrance component and a fixative to modulate volatility in perfumery. It is sometimes considered for cosmetics and personal care formulations to contribute scent or serve as a stable fragrance intermediate. In household products such as air fresheners and cleaners, it may be employed to impart or preserve fragrance. In industrial manufacturing, coatings and inks, the ketal can be evaluated as a processing aid or solvent-type additive or as an intermediate in chemical syntheses related to specialty resins. The exact use depends on formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1662.74
    methanol 3099.24
    isopropanol 1163.19
    water 378.55
    ethyl acetate 429.24
    n-propanol 1184.31
    acetone 651.66
    n-butanol 918.34
    acetonitrile 840.69
    DMF 1142.45
    toluene 171.93
    isobutanol 891.35
    1,4-dioxane 810.86
    methyl acetate 456.85
    THF 879.96
    2-butanone 481.72
    n-pentanol 583.41
    sec-butanol 921.83
    n-hexane 65.63
    ethylene glycol 834.38
    NMP 621.61
    cyclohexane 70.64
    DMSO 1160.13
    n-butyl acetate 195.77
    n-octanol 256.0
    chloroform 1329.71
    n-propyl acetate 216.3
    acetic acid 1072.72
    dichloromethane 1435.82
    cyclohexanone 519.33
    propylene glycol 730.6
    isopropyl acetate 277.06
    DMAc 784.29
    2-ethoxyethanol 1170.16
    isopentanol 674.16
    n-heptane 42.07
    ethyl formate 480.46
    1,2-dichloroethane 632.52
    n-hexanol 421.85
    2-methoxyethanol 1797.53
    isobutyl acetate 153.56
    tetrachloromethane 309.99
    n-pentyl acetate 176.23
    transcutol 936.22
    n-heptanol 235.17
    ethylbenzene 114.44
    MIBK 286.14
    2-propoxyethanol 797.5
    tert-butanol 1041.32
    MTBE 594.89
    2-butoxyethanol 431.71
    propionic acid 660.17
    o-xylene 155.1
    formic acid 1225.64
    diethyl ether 538.09
    m-xylene 142.63
    p-xylene 161.74
    chlorobenzene 259.25
    dimethyl carbonate 180.57
    n-octane 25.56
    formamide 962.06
    cyclopentanone 593.26
    2-pentanone 412.41
    anisole 290.65
    cyclopentyl methyl ether 422.92
    gamma-butyrolactone 716.07
    1-methoxy-2-propanol 1069.83
    pyridine 406.08
    3-pentanone 293.56
    furfural 755.83
    n-dodecane 24.0
    diethylene glycol 833.47
    diisopropyl ether 175.9
    tert-amyl alcohol 852.33
    acetylacetone 444.95
    n-hexadecane 25.8
    acetophenone 240.57
    methyl propionate 351.68
    isopentyl acetate 195.64
    trichloroethylene 956.18
    n-nonanol 209.66
    cyclohexanol 507.49
    benzyl alcohol 301.88
    2-ethylhexanol 201.87
    isooctanol 189.11
    dipropyl ether 187.51
    1,2-dichlorobenzene 263.8
    ethyl lactate 189.76
    propylene carbonate 366.45
    n-methylformamide 969.15
    2-pentanol 551.87
    n-pentane 86.94
    1-propoxy-2-propanol 408.84
    1-methoxy-2-propyl acetate 244.71
    2-(2-methoxypropoxy) propanol 281.06
    mesitylene 105.08
    ε-caprolactone 474.56
    p-cymene 89.68
    epichlorohydrin 817.7
    1,1,1-trichloroethane 517.37
    2-aminoethanol 1174.61
    morpholine-4-carbaldehyde 825.82
    sulfolane 745.74
    2,2,4-trimethylpentane 60.59
    2-methyltetrahydrofuran 611.52
    n-hexyl acetate 269.63
    isooctane 41.61
    2-(2-butoxyethoxy)ethanol 380.45
    sec-butyl acetate 163.61
    tert-butyl acetate 299.69
    decalin 46.72
    glycerin 951.26
    diglyme 692.04
    acrylic acid 558.5
    isopropyl myristate 111.0
    n-butyric acid 669.65
    acetyl acetate 304.67
    di(2-ethylhexyl) phthalate 109.11
    ethyl propionate 213.55
    nitromethane 1144.36
    1,2-diethoxyethane 272.28
    benzonitrile 314.4
    trioctyl phosphate 93.02
    1-bromopropane 433.06
    gamma-valerolactone 833.71
    n-decanol 148.13
    triethyl phosphate 111.52
    4-methyl-2-pentanol 320.96
    propionitrile 556.82
    vinylene carbonate 367.43
    1,1,2-trichlorotrifluoroethane 682.44
    DMS 196.42
    cumene 102.24
    2-octanol 174.46
    2-hexanone 242.28
    octyl acetate 138.14
    limonene 122.69
    1,2-dimethoxyethane 1072.96
    ethyl orthosilicate 114.51
    tributyl phosphate 104.4
    diacetone alcohol 395.51
    N,N-dimethylaniline 221.27
    acrylonitrile 617.39
    aniline 307.25
    1,3-propanediol 1139.35
    bromobenzene 250.3
    dibromomethane 823.76
    1,1,2,2-tetrachloroethane 763.96
    2-methyl-cyclohexyl acetate 150.99
    tetrabutyl urea 125.37
    diisobutyl methanol 130.42
    2-phenylethanol 252.2
    styrene 132.13
    dioctyl adipate 141.69
    dimethyl sulfate 331.65
    ethyl butyrate 167.59
    methyl lactate 287.15
    butyl lactate 163.87
    diethyl carbonate 129.75
    propanediol butyl ether 371.1
    triethyl orthoformate 139.11
    p-tert-butyltoluene 93.54
    methyl 4-tert-butylbenzoate 232.68
    morpholine 865.05
    tert-butylamine 698.27
    n-dodecanol 110.95
    dimethoxymethane 760.36
    ethylene carbonate 326.89
    cyrene 271.69
    2-ethoxyethyl acetate 219.43
    2-ethylhexyl acetate 146.66
    1,2,4-trichlorobenzene 302.67
    4-methylpyridine 447.08
    dibutyl ether 164.9
    2,6-dimethyl-4-heptanol 130.42
    DEF 505.93
    dimethyl isosorbide 355.93
    tetrachloroethylene 592.27
    eugenol 242.22
    triacetin 224.57
    span 80 217.36
    1,4-butanediol 645.9
    1,1-dichloroethane 671.59
    2-methyl-1-pentanol 455.73
    methyl formate 720.75
    2-methyl-1-butanol 707.14
    n-decane 39.43
    butyronitrile 555.84
    3,7-dimethyl-1-octanol 217.21
    1-chlorooctane 130.0
    1-chlorotetradecane 55.95
    n-nonane 38.98
    undecane 29.49
    tert-butylcyclohexane 52.89
    cyclooctane 30.99
    cyclopentanol 620.64
    tetrahydropyran 542.92
    tert-amyl methyl ether 447.27
    2,5,8-trioxanonane 452.98
    1-hexene 184.65
    2-isopropoxyethanol 629.06
    2,2,2-trifluoroethanol 510.43
    methyl butyrate 293.7

    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