Propylene glycol 2-(2-methylbutyrate)

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  • Identifiers

    CAS number
    923593-57-1

    Molecular formula
    C8H16O3

    SMILES
    CCC(C)C(=O)OC(C)CO

  • Odor profile

    Fragrance
    Fruity 95.68%
    Buttery 44.03%
    Tropical 42.01%
    Pineapple 37.55%
    Fatty 34.65%
    Ethereal 33.96%
    Cheesy 32.92%
    Berry 32.45%
    Sweet 31.78%
    Winey 31.36%

     

    Flavor
    Fruity 88.97%
    Sweet 51.49%
    Berry 41.82%
    Tropical 40.21%
    Creamy 39.75%
    Green 36.13%
    Waxy 33.66%
    Pineapple 32.53%
    Grape 32.23%
    Fruit 31.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.71 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    204°C

    Flash point

    • 90.99 ˚C est.

  • Synonyms

    • Propylene glycol 2-(2-methylbutyrate)
    • 2-Propylene glycol 2'-methylbutyrate
    • 923593-57-1
    • UNII-3Z73C506A9
    • (2-Hydroxy-1-methyl-ethyl) 2-methylbutanoate
    • FEMA No. 4467, 2-hydroxy-1-methyl-ethyl-
    • 3Z73C506A9
    • Butanoic acid, 2-methyl-, 2-hydroxy-1-methylethyl ester
    • (+-)-(2-Hydroxy-1-methyl-ethyl) 2-methylbutanoate
    • (2-Hydroxy-1-methyl-ethyl) 2-methylbutanoate, (+-)-
    • 1-hydroxypropan-2-yl 2-methylbutanoate
    • SCHEMBL8986830
    • DTXSID80919222
    • 2-HYDROXY-1-METHYLETHYL 2-METHYLBUTANOATE
    • Q27258248
    • (+/-)-(2-HYDROXY-1-METHYL-ETHYL) 2-METHYLBUTANOATE
    • (2-HYDROXY-1-METHYL-ETHYL) 2-METHYLBUTANOATE, (+/-)-

  • Applications

    Propylene glycol 2-(2-methylbutyrate) (CAS 923593-57-1) is typically used as a solvent and carrier for fragrance oils and flavor components in fragrance and flavor formulations; as a humectant and emollient in cosmetics and personal care products; as a plasticizer or processing aid in coatings, inks, and adhesives; as an intermediate in fragrance chemistry; and as a solvent or co-solvent in various industrial formulations and cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1716.91
    methanol 2441.21
    isopropanol 1458.51
    water 20.41
    ethyl acetate 457.79
    n-propanol 1243.14
    acetone 1115.23
    n-butanol 961.11
    acetonitrile 970.34
    DMF 1366.06
    toluene 139.42
    isobutanol 926.41
    1,4-dioxane 1198.4
    methyl acetate 613.38
    THF 1073.73
    2-butanone 728.69
    n-pentanol 773.88
    sec-butanol 1270.81
    n-hexane 42.69
    ethylene glycol 483.84
    NMP 1064.25
    cyclohexane 76.53
    DMSO 1742.54
    n-butyl acetate 518.71
    n-octanol 337.32
    chloroform 1714.95
    n-propyl acetate 411.59
    acetic acid 1725.16
    dichloromethane 1711.87
    cyclohexanone 973.38
    propylene glycol 644.82
    isopropyl acetate 285.55
    DMAc 969.95
    2-ethoxyethanol 948.42
    isopentanol 752.76
    n-heptane 28.08
    ethyl formate 672.57
    1,2-dichloroethane 849.46
    n-hexanol 582.44
    2-methoxyethanol 1323.53
    isobutyl acetate 251.12
    tetrachloromethane 212.63
    n-pentyl acetate 319.43
    transcutol 1425.25
    n-heptanol 292.27
    ethylbenzene 152.82
    MIBK 292.54
    2-propoxyethanol 720.31
    tert-butanol 1505.79
    MTBE 700.93
    2-butoxyethanol 479.39
    propionic acid 990.57
    o-xylene 172.35
    formic acid 761.15
    diethyl ether 405.26
    m-xylene 134.24
    p-xylene 251.46
    chlorobenzene 379.82
    dimethyl carbonate 144.84
    n-octane 19.05
    formamide 861.68
    cyclopentanone 1008.65
    2-pentanone 453.18
    anisole 379.67
    cyclopentyl methyl ether 409.01
    gamma-butyrolactone 1325.23
    1-methoxy-2-propanol 782.6
    pyridine 763.25
    3-pentanone 296.45
    furfural 1217.27
    n-dodecane 19.92
    diethylene glycol 613.03
    diisopropyl ether 115.08
    tert-amyl alcohol 1231.13
    acetylacetone 523.72
    n-hexadecane 22.16
    acetophenone 405.39
    methyl propionate 336.94
    isopentyl acetate 471.76
    trichloroethylene 1626.37
    n-nonanol 255.28
    cyclohexanol 727.86
    benzyl alcohol 462.16
    2-ethylhexanol 335.31
    isooctanol 245.86
    dipropyl ether 179.7
    1,2-dichlorobenzene 385.09
    ethyl lactate 242.89
    propylene carbonate 731.55
    n-methylformamide 954.88
    2-pentanol 601.33
    n-pentane 40.36
    1-propoxy-2-propanol 509.62
    1-methoxy-2-propyl acetate 338.37
    2-(2-methoxypropoxy) propanol 373.53
    mesitylene 100.11
    ε-caprolactone 841.67
    p-cymene 120.67
    epichlorohydrin 1138.95
    1,1,1-trichloroethane 688.86
    2-aminoethanol 869.48
    morpholine-4-carbaldehyde 987.57
    sulfolane 1521.38
    2,2,4-trimethylpentane 46.68
    2-methyltetrahydrofuran 893.76
    n-hexyl acetate 451.28
    isooctane 28.24
    2-(2-butoxyethoxy)ethanol 514.84
    sec-butyl acetate 240.55
    tert-butyl acetate 331.43
    decalin 50.18
    glycerin 694.62
    diglyme 911.37
    acrylic acid 885.12
    isopropyl myristate 146.11
    n-butyric acid 1043.8
    acetyl acetate 329.33
    di(2-ethylhexyl) phthalate 180.72
    ethyl propionate 273.18
    nitromethane 1902.0
    1,2-diethoxyethane 406.94
    benzonitrile 587.35
    trioctyl phosphate 141.36
    1-bromopropane 422.0
    gamma-valerolactone 1279.07
    n-decanol 180.41
    triethyl phosphate 157.62
    4-methyl-2-pentanol 298.78
    propionitrile 642.81
    vinylene carbonate 713.43
    1,1,2-trichlorotrifluoroethane 994.33
    DMS 274.51
    cumene 129.81
    2-octanol 240.71
    2-hexanone 453.46
    octyl acetate 210.65
    limonene 178.34
    1,2-dimethoxyethane 1173.17
    ethyl orthosilicate 147.47
    tributyl phosphate 171.17
    diacetone alcohol 487.37
    N,N-dimethylaniline 267.08
    acrylonitrile 848.39
    aniline 371.92
    1,3-propanediol 1019.48
    bromobenzene 354.14
    dibromomethane 988.37
    1,1,2,2-tetrachloroethane 1338.47
    2-methyl-cyclohexyl acetate 279.4
    tetrabutyl urea 201.73
    diisobutyl methanol 169.21
    2-phenylethanol 369.69
    styrene 196.16
    dioctyl adipate 237.14
    dimethyl sulfate 313.92
    ethyl butyrate 316.36
    methyl lactate 277.06
    butyl lactate 301.78
    diethyl carbonate 219.98
    propanediol butyl ether 535.91
    triethyl orthoformate 206.86
    p-tert-butyltoluene 112.65
    methyl 4-tert-butylbenzoate 342.92
    morpholine 1279.85
    tert-butylamine 839.67
    n-dodecanol 134.59
    dimethoxymethane 457.54
    ethylene carbonate 568.82
    cyrene 397.59
    2-ethoxyethyl acetate 360.38
    2-ethylhexyl acetate 314.33
    1,2,4-trichlorobenzene 482.34
    4-methylpyridine 709.4
    dibutyl ether 229.6
    2,6-dimethyl-4-heptanol 169.21
    DEF 570.89
    dimethyl isosorbide 522.06
    tetrachloroethylene 861.76
    eugenol 351.98
    triacetin 375.18
    span 80 364.72
    1,4-butanediol 555.85
    1,1-dichloroethane 888.77
    2-methyl-1-pentanol 682.94
    methyl formate 767.64
    2-methyl-1-butanol 771.68
    n-decane 32.23
    butyronitrile 721.56
    3,7-dimethyl-1-octanol 303.6
    1-chlorooctane 157.41
    1-chlorotetradecane 58.53
    n-nonane 31.2
    undecane 24.25
    tert-butylcyclohexane 49.8
    cyclooctane 22.03
    cyclopentanol 892.13
    tetrahydropyran 874.81
    tert-amyl methyl ether 449.4
    2,5,8-trioxanonane 576.04
    1-hexene 200.16
    2-isopropoxyethanol 590.63
    2,2,2-trifluoroethanol 479.07
    methyl butyrate 505.64

    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