2-Hydroxypropyl 2-methylbutanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    923593-56-0

    Molecular formula
    C8H16O3

    SMILES
    CCC(C)C(=O)OCC(C)O

  • Odor profile

    Fragrance
    Fruity 95.59%
    Buttery 47.25%
    Tropical 40.99%
    Pineapple 36.46%
    Caramellic 36.12%
    Fatty 36.06%
    Sweet 34.95%
    Ethereal 34.0%
    Winey 33.71%
    Oily 31.47%

     

    Flavor
    Fruity 88.12%
    Sweet 52.65%
    Berry 42.64%
    Green 42.16%
    Tropical 41.47%
    Creamy 41.21%
    Waxy 40.41%
    Fruit 32.71%
    Grape 32.59%
    Apple 31.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.52 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    199°C

    Flash point

    • 88.01 ˚C est.

  • Synonyms

    • 2-Hydroxypropyl 2-methylbutanoate
    • Propylene glycol 1-(2-methylbutyrate)
    • 923593-56-0
    • 1-Propylene glycol 2'-methylbutyrate
    • FEMA No. 4467, 2-hydroxypropyl-
    • 1-Propylene glycol 2'-methylbutanoate
    • UNII-9Q5W5G6461
    • Butanoic acid, 2-methyl-, 2-hydroxypropyl ester
    • 9Q5W5G6461
    • (+-)-2-Hydroxypropyl 2-methylbutanoate
    • 2-Hydroxypropyl 2-methylbutanoate, (+-)-
    • SCHEMBL149643
    • DTXSID40919223
    • (+/-)-2-HYDROXYPROPYL 2-METHYLBUTANOATE
    • 2-HYDROXYPROPYL 2-METHYLBUTANOATE, (+/-)-
    • Q27272886

  • Applications

    2-Hydroxypropyl 2-methylbutanoate (CAS 923593-56-0) is used in several industrial contexts as a plasticizer for polymers and plastics to improve flexibility, as a solvent and processing aid in coatings, inks, and cleaning formulations, and as an ingredient in cosmetics/personal care as an emollient and solvent; in perfumery it may serve as a fragrance component or fixative, and it can function as an industrial manufacturing intermediate for the synthesis of specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2064.56
    methanol 3039.51
    isopropanol 1518.09
    water 29.78
    ethyl acetate 373.52
    n-propanol 1294.82
    acetone 750.85
    n-butanol 1074.26
    acetonitrile 620.39
    DMF 940.44
    toluene 120.22
    isobutanol 934.76
    1,4-dioxane 1202.38
    methyl acetate 424.44
    THF 989.61
    2-butanone 483.67
    n-pentanol 802.12
    sec-butanol 1228.25
    n-hexane 45.16
    ethylene glycol 514.08
    NMP 728.84
    cyclohexane 77.84
    DMSO 1127.29
    n-butyl acetate 452.52
    n-octanol 299.05
    chloroform 1124.49
    n-propyl acetate 333.23
    acetic acid 1866.77
    dichloromethane 873.64
    cyclohexanone 694.49
    propylene glycol 623.39
    isopropyl acetate 257.21
    DMAc 791.34
    2-ethoxyethanol 1023.83
    isopentanol 855.19
    n-heptane 26.2
    ethyl formate 524.92
    1,2-dichloroethane 483.56
    n-hexanol 638.7
    2-methoxyethanol 1456.61
    isobutyl acetate 228.63
    tetrachloromethane 154.15
    n-pentyl acetate 246.07
    transcutol 1502.64
    n-heptanol 290.43
    ethylbenzene 123.66
    MIBK 253.79
    2-propoxyethanol 756.28
    tert-butanol 1647.75
    MTBE 722.07
    2-butoxyethanol 510.77
    propionic acid 796.06
    o-xylene 139.67
    formic acid 993.6
    diethyl ether 388.89
    m-xylene 109.14
    p-xylene 208.44
    chlorobenzene 249.06
    dimethyl carbonate 99.91
    n-octane 16.24
    formamide 869.22
    cyclopentanone 649.91
    2-pentanone 360.0
    anisole 305.5
    cyclopentyl methyl ether 354.45
    gamma-butyrolactone 817.75
    1-methoxy-2-propanol 804.38
    pyridine 562.25
    3-pentanone 201.59
    furfural 862.13
    n-dodecane 15.65
    diethylene glycol 678.48
    diisopropyl ether 108.74
    tert-amyl alcohol 1323.88
    acetylacetone 380.86
    n-hexadecane 17.1
    acetophenone 310.89
    methyl propionate 243.2
    isopentyl acetate 433.42
    trichloroethylene 915.25
    n-nonanol 234.37
    cyclohexanol 743.37
    benzyl alcohol 396.16
    2-ethylhexanol 336.44
    isooctanol 233.52
    dipropyl ether 170.33
    1,2-dichlorobenzene 242.99
    ethyl lactate 193.64
    propylene carbonate 500.77
    n-methylformamide 703.94
    2-pentanol 636.48
    n-pentane 42.28
    1-propoxy-2-propanol 499.17
    1-methoxy-2-propyl acetate 291.51
    2-(2-methoxypropoxy) propanol 373.45
    mesitylene 78.7
    ε-caprolactone 669.71
    p-cymene 95.82
    epichlorohydrin 783.09
    1,1,1-trichloroethane 420.46
    2-aminoethanol 936.38
    morpholine-4-carbaldehyde 837.53
    sulfolane 854.55
    2,2,4-trimethylpentane 43.0
    2-methyltetrahydrofuran 783.39
    n-hexyl acetate 356.43
    isooctane 25.43
    2-(2-butoxyethoxy)ethanol 527.43
    sec-butyl acetate 217.94
    tert-butyl acetate 282.53
    decalin 44.75
    glycerin 694.16
    diglyme 875.75
    acrylic acid 675.95
    isopropyl myristate 118.69
    n-butyric acid 1014.33
    acetyl acetate 263.01
    di(2-ethylhexyl) phthalate 157.85
    ethyl propionate 211.93
    nitromethane 1360.33
    1,2-diethoxyethane 385.49
    benzonitrile 424.35
    trioctyl phosphate 119.51
    1-bromopropane 277.64
    gamma-valerolactone 951.53
    n-decanol 160.83
    triethyl phosphate 129.18
    4-methyl-2-pentanol 318.18
    propionitrile 465.88
    vinylene carbonate 498.6
    1,1,2-trichlorotrifluoroethane 793.73
    DMS 198.95
    cumene 104.29
    2-octanol 204.6
    2-hexanone 362.79
    octyl acetate 170.5
    limonene 146.52
    1,2-dimethoxyethane 1174.09
    ethyl orthosilicate 130.83
    tributyl phosphate 144.18
    diacetone alcohol 446.89
    N,N-dimethylaniline 223.81
    acrylonitrile 547.38
    aniline 319.93
    1,3-propanediol 1222.14
    bromobenzene 213.69
    dibromomethane 552.64
    1,1,2,2-tetrachloroethane 847.97
    2-methyl-cyclohexyl acetate 238.03
    tetrabutyl urea 169.91
    diisobutyl methanol 163.67
    2-phenylethanol 337.5
    styrene 151.79
    dioctyl adipate 193.62
    dimethyl sulfate 189.06
    ethyl butyrate 254.49
    methyl lactate 214.94
    butyl lactate 242.65
    diethyl carbonate 170.65
    propanediol butyl ether 508.0
    triethyl orthoformate 180.81
    p-tert-butyltoluene 90.57
    methyl 4-tert-butylbenzoate 262.35
    morpholine 1300.1
    tert-butylamine 966.95
    n-dodecanol 119.3
    dimethoxymethane 396.86
    ethylene carbonate 412.11
    cyrene 342.04
    2-ethoxyethyl acetate 297.45
    2-ethylhexyl acetate 293.27
    1,2,4-trichlorobenzene 311.73
    4-methylpyridine 559.76
    dibutyl ether 194.98
    2,6-dimethyl-4-heptanol 163.67
    DEF 456.35
    dimethyl isosorbide 459.15
    tetrachloroethylene 599.19
    eugenol 295.43
    triacetin 292.33
    span 80 353.53
    1,4-butanediol 601.77
    1,1-dichloroethane 531.18
    2-methyl-1-pentanol 719.21
    methyl formate 509.44
    2-methyl-1-butanol 807.25
    n-decane 25.15
    butyronitrile 571.56
    3,7-dimethyl-1-octanol 282.65
    1-chlorooctane 114.07
    1-chlorotetradecane 44.3
    n-nonane 24.94
    undecane 18.96
    tert-butylcyclohexane 44.67
    cyclooctane 20.84
    cyclopentanol 769.24
    tetrahydropyran 820.6
    tert-amyl methyl ether 469.46
    2,5,8-trioxanonane 578.28
    1-hexene 195.65
    2-isopropoxyethanol 605.67
    2,2,2-trifluoroethanol 453.44
    methyl butyrate 392.11

    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