Propanoic acid--butane-1,4-diol (1/1)

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  • Identifiers

    CAS number
    91171-54-9

    Molecular formula
    C7H16O4

    SMILES
    CCC(=O)O.C(CCO)CO

    Safety labels

  • Odor profile

    Fragrance
    Sour 75.82%
    Cheesy 71.3%
    Pungent 52.64%
    Sharp 52.54%
    Dairy 44.55%
    Sweaty 43.11%
    Buttery 40.15%
    Milky 38.93%
    Odorless 36.72%
    Caramellic 34.08%

     

    Flavor
    Pungent 61.22%
    Rancid 53.09%
    Sour 50.92%
    Acidic 48.53%
    Vinegar 47.9%
    Cheese 43.43%
    Sweat 40.77%
    Odorless 40.12%
    Sharp 38.47%
    Cheesy 31.88%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    8.01 (weak base)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    141°C

    Flash point

    • 54.26 ˚C est.

  • Synonyms

    • DTXSID10919912
    • Propanoic acid--butane-1,4-diol (1/1)
    • RefChem:1096894
    • DTXCID701348834
    • BUTYLENE GLYCOL PROPIONATE
    • UNII-N85F020LCE
    • 1,3-Butanediol, monopropanoate
    • 91171-54-9
    • 1,3-Butylene glycol monopropionate
    • N85F020LCE
    • SCHEMBL297173
    • 91171-54-9

  • Applications

    Propanoic acid--butane-1,4-diol (1/1) (CAS 91171-54-9) is a diester of propionic acid and 1,4-butanediol. In industrial practice, it is mainly used as a plasticizer for polymers and coatings, improving flexibility and processability of resins and paints. It also serves as an intermediate in the production of specialty polyesters and polyurethanes, and is used in formulations for adhesives and sealants to enhance compatibility and flow. Additionally, it may function as a solvent or processing aid in resin systems, and can be considered a building block for diol/acid-based polymers. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 253.27
    methanol 426.7
    isopropanol 147.35
    water 789.39
    ethyl acetate 22.78
    n-propanol 138.27
    acetone 78.89
    n-butanol 122.64
    acetonitrile 69.48
    DMF 327.98
    toluene 4.96
    isobutanol 118.92
    1,4-dioxane 61.18
    methyl acetate 43.16
    THF 87.24
    2-butanone 48.19
    n-pentanol 89.11
    sec-butanol 112.96
    n-hexane 7.49
    ethylene glycol 173.94
    NMP 267.07
    cyclohexane 3.25
    DMSO 237.56
    n-butyl acetate 16.73
    n-octanol 39.27
    chloroform 30.57
    n-propyl acetate 21.06
    acetic acid 335.26
    dichloromethane 39.71
    cyclohexanone 56.73
    propylene glycol 163.34
    isopropyl acetate 17.8
    DMAc 237.29
    2-ethoxyethanol 148.96
    isopentanol 113.4
    n-heptane 3.11
    ethyl formate 69.94
    1,2-dichloroethane 24.95
    n-hexanol 48.61
    2-methoxyethanol 243.84
    isobutyl acetate 13.67
    tetrachloromethane 11.79
    n-pentyl acetate 29.67
    transcutol 212.89
    n-heptanol 44.28
    ethylbenzene 6.24
    MIBK 27.06
    2-propoxyethanol 86.1
    tert-butanol 153.35
    MTBE 44.09
    2-butoxyethanol 91.66
    propionic acid 146.93
    o-xylene 8.12
    formic acid 448.35
    diethyl ether 22.22
    m-xylene 6.21
    p-xylene 9.99
    chlorobenzene 9.62
    dimethyl carbonate 20.37
    n-octane 2.45
    formamide 427.11
    cyclopentanone 88.98
    2-pentanone 33.97
    anisole 21.76
    cyclopentyl methyl ether 30.15
    gamma-butyrolactone 126.83
    1-methoxy-2-propanol 142.5
    pyridine 37.94
    3-pentanone 19.22
    furfural 140.41
    n-dodecane 2.01
    diethylene glycol 108.02
    diisopropyl ether 8.26
    tert-amyl alcohol 145.34
    acetylacetone 39.4
    n-hexadecane 2.01
    acetophenone 27.5
    methyl propionate 28.06
    isopentyl acetate 19.91
    trichloroethylene 38.37
    n-nonanol 33.07
    cyclohexanol 55.96
    benzyl alcohol 43.04
    2-ethylhexanol 25.21
    isooctanol 36.38
    dipropyl ether 10.86
    1,2-dichlorobenzene 12.59
    ethyl lactate 26.6
    propylene carbonate 66.37
    n-methylformamide 236.57
    2-pentanol 64.85
    n-pentane 5.77
    1-propoxy-2-propanol 53.35
    1-methoxy-2-propyl acetate 21.15
    2-(2-methoxypropoxy) propanol 71.09
    mesitylene 5.65
    ε-caprolactone 62.14
    p-cymene 5.89
    epichlorohydrin 82.74
    1,1,1-trichloroethane 16.41
    2-aminoethanol 251.96
    morpholine-4-carbaldehyde 193.24
    sulfolane 174.79
    2,2,4-trimethylpentane 5.42
    2-methyltetrahydrofuran 62.31
    n-hexyl acetate 39.35
    isooctane 3.12
    2-(2-butoxyethoxy)ethanol 100.34
    sec-butyl acetate 13.42
    tert-butyl acetate 24.0
    decalin 3.31
    glycerin 229.16
    diglyme 140.38
    acrylic acid 154.63
    isopropyl myristate 12.8
    n-butyric acid 123.49
    acetyl acetate 18.16
    di(2-ethylhexyl) phthalate 26.21
    ethyl propionate 15.71
    nitromethane 256.98
    1,2-diethoxyethane 34.01
    benzonitrile 28.45
    trioctyl phosphate 18.21
    1-bromopropane 14.55
    gamma-valerolactone 143.06
    n-decanol 23.82
    triethyl phosphate 11.82
    4-methyl-2-pentanol 42.91
    propionitrile 40.12
    vinylene carbonate 59.97
    1,1,2-trichlorotrifluoroethane 112.65
    DMS 22.68
    cumene 8.09
    2-octanol 31.41
    2-hexanone 28.54
    octyl acetate 20.35
    limonene 8.25
    1,2-dimethoxyethane 133.54
    ethyl orthosilicate 11.88
    tributyl phosphate 20.04
    diacetone alcohol 68.83
    N,N-dimethylaniline 26.63
    acrylonitrile 60.23
    aniline 26.85
    1,3-propanediol 220.92
    bromobenzene 6.0
    dibromomethane 22.67
    1,1,2,2-tetrachloroethane 35.09
    2-methyl-cyclohexyl acetate 17.73
    tetrabutyl urea 27.98
    diisobutyl methanol 14.82
    2-phenylethanol 29.69
    styrene 6.94
    dioctyl adipate 23.38
    dimethyl sulfate 46.77
    ethyl butyrate 13.63
    methyl lactate 51.25
    butyl lactate 42.4
    diethyl carbonate 10.37
    propanediol butyl ether 119.07
    triethyl orthoformate 13.14
    p-tert-butyltoluene 5.94
    methyl 4-tert-butylbenzoate 43.12
    morpholine 95.8
    tert-butylamine 81.17
    n-dodecanol 16.77
    dimethoxymethane 69.06
    ethylene carbonate 43.75
    cyrene 67.98
    2-ethoxyethyl acetate 37.2
    2-ethylhexyl acetate 13.57
    1,2,4-trichlorobenzene 16.32
    4-methylpyridine 42.14
    dibutyl ether 18.66
    2,6-dimethyl-4-heptanol 14.82
    DEF 69.07
    dimethyl isosorbide 69.9
    tetrachloroethylene 33.53
    eugenol 56.0
    triacetin 37.7
    span 80 69.13
    1,4-butanediol 126.18
    1,1-dichloroethane 20.31
    2-methyl-1-pentanol 89.67
    methyl formate 142.73
    2-methyl-1-butanol 110.98
    n-decane 3.14
    butyronitrile 50.52
    3,7-dimethyl-1-octanol 33.54
    1-chlorooctane 9.35
    1-chlorotetradecane 4.3
    n-nonane 3.17
    undecane 2.41
    tert-butylcyclohexane 4.4
    cyclooctane 1.66
    cyclopentanol 90.13
    tetrahydropyran 33.91
    tert-amyl methyl ether 38.81
    2,5,8-trioxanonane 103.1
    1-hexene 16.63
    2-isopropoxyethanol 85.38
    2,2,2-trifluoroethanol 154.43
    methyl butyrate 32.87

    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