2-Hydroxypropyl butyrate

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  • Identifiers

    CAS number
    39556-37-1

    Molecular formula
    C7H14O3

    SMILES
    CCCC(=O)OCC(C)O

  • Odor profile

    Fragrance
    Fruity 93.48%
    Buttery 49.31%
    Sweet 47.11%
    Caramellic 44.47%
    Ethereal 42.94%
    Pineapple 37.85%
    Winey 37.49%
    Tropical 33.18%
    Fatty 32.43%
    Creamy 31.75%

     

    Flavor
    Fruity 85.88%
    Sweet 48.82%
    Fruit 45.36%
    Pineapple 43.29%
    Creamy 41.36%
    Tropical 39.93%
    Grape 38.3%
    Berry 37.61%
    Green 34.37%
    Waxy 34.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.88 (weak base)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    195°C

    Flash point

    • 84.47 ˚C est.

    Solubility expt.

    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Hydroxypropyl butyrate
    • 39556-37-1
    • Propylene glycol 1-butyrate
    • Butanoic acid, 2-hydroxypropyl ester
    • Butanoic acid, monoester with 1,2-propanediol
    • 29592-95-8
    • PUV901J64H
    • 2-hydroxypropyl butanoate
    • Propane-1,2-diol 1-butyrate
    • UNII-PUV901J64H
    • Propylene glycol, monobutyrate
    • UNII-1Y0H57TG56
    • EINECS 249-708-3
    • EINECS 254-505-8
    • 2-Hydroxypropylbutyrate
    • 1-butyryloxy-2-propanol
    • Butyric acid, monoester with propane-1,2-diol
    • SCHEMBL1245108
    • DTXSID80865497
    • Propylene glycol monobutyrate (p)
    • 1Y0H57TG56
    • 1-PROPYLENE GLYCOL BUTYRATE
    • butyric acid 2-hydroxy-propyl ester
    • FEMA NO. 4488, 2-HYDROXYPROPYL-
    • NS00052324
    • Q27286764

  • Applications

    2-Hydroxypropyl butyrate is commonly used as a plasticizer for polymers and coatings; it can function as a processing solvent or co-solvent in paints, inks, and adhesives. In cosmetics and personal care formulations, it may act as a solvent and emollient. The ester can serve as a carrier or solvent for fragrance ingredients and flavor compounds in the fragrance and flavor industries. It may also be used as an intermediate in chemical syntheses and, where allowed, as a processing solvent in pharmaceutical-related formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1969.48
    methanol 3603.22
    isopropanol 1427.34
    water 61.63
    ethyl acetate 238.09
    n-propanol 1189.72
    acetone 834.27
    n-butanol 994.57
    acetonitrile 513.03
    DMF 1493.69
    toluene 69.27
    isobutanol 792.16
    1,4-dioxane 818.91
    methyl acetate 314.87
    THF 818.84
    2-butanone 397.36
    n-pentanol 633.58
    sec-butanol 966.8
    n-hexane 40.32
    ethylene glycol 842.8
    NMP 823.04
    cyclohexane 49.04
    DMSO 1470.83
    n-butyl acetate 260.18
    n-octanol 237.85
    chloroform 642.98
    n-propyl acetate 194.33
    acetic acid 1984.53
    dichloromethane 526.0
    cyclohexanone 542.99
    propylene glycol 879.02
    isopropyl acetate 159.88
    DMAc 955.09
    2-ethoxyethanol 868.89
    isopentanol 680.11
    n-heptane 20.88
    ethyl formate 403.31
    1,2-dichloroethane 331.51
    n-hexanol 486.93
    2-methoxyethanol 1531.92
    isobutyl acetate 139.31
    tetrachloromethane 79.36
    n-pentyl acetate 160.25
    transcutol 1204.51
    n-heptanol 194.65
    ethylbenzene 75.95
    MIBK 193.35
    2-propoxyethanol 677.11
    tert-butanol 1325.44
    MTBE 481.37
    2-butoxyethanol 363.88
    propionic acid 771.84
    o-xylene 82.99
    formic acid 1168.57
    diethyl ether 270.57
    m-xylene 70.93
    p-xylene 114.75
    chlorobenzene 157.94
    dimethyl carbonate 97.96
    n-octane 11.51
    formamide 834.42
    cyclopentanone 578.86
    2-pentanone 304.91
    anisole 201.57
    cyclopentyl methyl ether 273.94
    gamma-butyrolactone 646.02
    1-methoxy-2-propanol 848.25
    pyridine 386.21
    3-pentanone 175.88
    furfural 687.44
    n-dodecane 12.11
    diethylene glycol 764.2
    diisopropyl ether 70.06
    tert-amyl alcohol 939.39
    acetylacetone 304.38
    n-hexadecane 13.02
    acetophenone 226.76
    methyl propionate 208.6
    isopentyl acetate 248.51
    trichloroethylene 578.53
    n-nonanol 184.61
    cyclohexanol 579.53
    benzyl alcohol 306.53
    2-ethylhexanol 234.29
    isooctanol 150.98
    dipropyl ether 131.93
    1,2-dichlorobenzene 161.83
    ethyl lactate 171.1
    propylene carbonate 378.92
    n-methylformamide 852.46
    2-pentanol 517.87
    n-pentane 36.43
    1-propoxy-2-propanol 427.98
    1-methoxy-2-propyl acetate 212.39
    2-(2-methoxypropoxy) propanol 329.61
    mesitylene 53.93
    ε-caprolactone 466.72
    p-cymene 63.52
    epichlorohydrin 554.52
    1,1,1-trichloroethane 234.79
    2-aminoethanol 1142.05
    morpholine-4-carbaldehyde 820.45
    sulfolane 839.62
    2,2,4-trimethylpentane 28.89
    2-methyltetrahydrofuran 543.79
    n-hexyl acetate 258.21
    isooctane 18.41
    2-(2-butoxyethoxy)ethanol 434.19
    sec-butyl acetate 128.26
    tert-butyl acetate 193.23
    decalin 30.87
    glycerin 1036.95
    diglyme 692.72
    acrylic acid 739.12
    isopropyl myristate 91.22
    n-butyric acid 864.25
    acetyl acetate 178.78
    di(2-ethylhexyl) phthalate 125.76
    ethyl propionate 145.51
    nitromethane 1278.74
    1,2-diethoxyethane 261.32
    benzonitrile 298.95
    trioctyl phosphate 97.8
    1-bromopropane 189.93
    gamma-valerolactone 774.18
    n-decanol 128.53
    triethyl phosphate 97.22
    4-methyl-2-pentanol 235.06
    propionitrile 393.13
    vinylene carbonate 386.3
    1,1,2-trichlorotrifluoroethane 712.9
    DMS 161.87
    cumene 66.44
    2-octanol 138.84
    2-hexanone 259.66
    octyl acetate 131.29
    limonene 96.6
    1,2-dimethoxyethane 999.11
    ethyl orthosilicate 94.79
    tributyl phosphate 119.24
    diacetone alcohol 354.78
    N,N-dimethylaniline 166.84
    acrylonitrile 489.66
    aniline 226.0
    1,3-propanediol 1236.38
    bromobenzene 123.89
    dibromomethane 325.41
    1,1,2,2-tetrachloroethane 545.27
    2-methyl-cyclohexyl acetate 160.15
    tetrabutyl urea 153.73
    diisobutyl methanol 118.38
    2-phenylethanol 235.93
    styrene 98.88
    dioctyl adipate 154.95
    dimethyl sulfate 205.16
    ethyl butyrate 156.65
    methyl lactate 248.48
    butyl lactate 187.86
    diethyl carbonate 119.16
    propanediol butyl ether 460.78
    triethyl orthoformate 126.69
    p-tert-butyltoluene 60.01
    methyl 4-tert-butylbenzoate 204.26
    morpholine 984.81
    tert-butylamine 717.34
    n-dodecanol 94.51
    dimethoxymethane 454.34
    ethylene carbonate 314.19
    cyrene 297.38
    2-ethoxyethyl acetate 199.84
    2-ethylhexyl acetate 169.65
    1,2,4-trichlorobenzene 211.81
    4-methylpyridine 387.33
    dibutyl ether 148.4
    2,6-dimethyl-4-heptanol 118.38
    DEF 453.75
    dimethyl isosorbide 375.34
    tetrachloroethylene 404.25
    eugenol 241.06
    triacetin 241.76
    span 80 297.06
    1,4-butanediol 597.87
    1,1-dichloroethane 307.53
    2-methyl-1-pentanol 502.91
    methyl formate 570.16
    2-methyl-1-butanol 658.08
    n-decane 19.27
    butyronitrile 476.16
    3,7-dimethyl-1-octanol 209.03
    1-chlorooctane 84.01
    1-chlorotetradecane 33.67
    n-nonane 19.04
    undecane 14.53
    tert-butylcyclohexane 31.49
    cyclooctane 14.29
    cyclopentanol 674.15
    tetrahydropyran 583.37
    tert-amyl methyl ether 317.54
    2,5,8-trioxanonane 494.95
    1-hexene 152.02
    2-isopropoxyethanol 485.34
    2,2,2-trifluoroethanol 468.68
    methyl butyrate 269.74

    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