4-Hydroxybutyl butanoate

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  • Identifiers

    CAS number
    55011-60-4

    Molecular formula
    C8H16O3

    SMILES
    CCCC(=O)OCCCCO

  • Odor profile

    Fragrance
    Fruity 82.93%
    Ethereal 43.28%
    Sweet 37.95%
    Winey 33.74%
    Oily 33.68%
    Caramellic 32.59%
    Buttery 31.54%
    Fermented 28.58%
    Pineapple 26.64%
    Solvent 26.49%

     

    Flavor
    Fruity 77.4%
    Sweet 65.81%
    Pineapple 59.33%
    Fruit 55.43%
    Apple 40.31%
    Green 37.11%
    Banana 36.98%
    Tropical 36.96%
    Rum 36.81%
    Apricot 36.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.69 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    242°C

    Flash point

    • 104.99 ˚C est.

  • Synonyms

    • 4-hydroxybutyl butanoate
    • 55011-60-4
    • 4-hydroxybutyl butyrate
    • Butanoic acid 4-hydroxybutyl ester
    • DTXSID10597471
    • 1,4-butandiol monobutyrate
    • SCHEMBL2527254
    • DTXCID60548231
    • HKHMPQJGZDCJAG-UHFFFAOYSA-N
    • FCA01160
    • MFCD18157659
    • AKOS015839535
    • LE-0059
    • SB84368
    • (r)-3-hydroxy-2-methyl propyl butyrate
    • DB-297083

  • Applications

    4-Hydroxybutyl butanoate (CAS 55011-60-4) is a chemical intermediate and plasticizer with a free hydroxyl group, commonly used to improve flexibility and processability of polymers and polyesters. It is also used as a precursor in fragrance chemistry and cosmetics, serving as an intermediate for aroma components and helping to modulate scent release. As a functional compound, it can be employed as a solvent or processing aid in cleaning and personal care formulations. In coatings, inks, and adhesives, it can act as a functional additive or coupling agent, promoting resin compatibility and crosslinking through its hydroxyl group. It may be used as a starting material for the synthesis of other industrial chemicals, with actual usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3365.25
    methanol 5967.41
    isopropanol 2297.77
    water 10.37
    ethyl acetate 710.86
    n-propanol 2029.76
    acetone 1968.62
    n-butanol 1630.12
    acetonitrile 1535.19
    DMF 2546.26
    toluene 146.23
    isobutanol 1382.35
    1,4-dioxane 1553.47
    methyl acetate 706.97
    THF 1677.49
    2-butanone 904.23
    n-pentanol 1088.07
    sec-butanol 1565.19
    n-hexane 90.2
    ethylene glycol 696.52
    NMP 1346.65
    cyclohexane 120.26
    DMSO 3362.28
    n-butyl acetate 574.81
    n-octanol 337.86
    chloroform 1841.04
    n-propyl acetate 556.12
    acetic acid 3833.26
    dichloromethane 1613.95
    cyclohexanone 1270.39
    propylene glycol 844.88
    isopropyl acetate 417.59
    DMAc 1282.27
    2-ethoxyethanol 1230.38
    isopentanol 1082.52
    n-heptane 36.0
    ethyl formate 747.67
    1,2-dichloroethane 1070.49
    n-hexanol 697.62
    2-methoxyethanol 2302.06
    isobutyl acetate 319.63
    tetrachloromethane 185.04
    n-pentyl acetate 341.0
    transcutol 2382.39
    n-heptanol 281.07
    ethylbenzene 132.74
    MIBK 378.69
    2-propoxyethanol 945.87
    tert-butanol 2169.36
    MTBE 791.27
    2-butoxyethanol 521.65
    propionic acid 1447.31
    o-xylene 133.81
    formic acid 1517.9
    diethyl ether 679.21
    m-xylene 122.41
    p-xylene 202.75
    chlorobenzene 419.47
    dimethyl carbonate 181.02
    n-octane 18.85
    formamide 1468.57
    cyclopentanone 1263.19
    2-pentanone 700.91
    anisole 344.58
    cyclopentyl methyl ether 574.47
    gamma-butyrolactone 1478.44
    1-methoxy-2-propanol 1294.05
    pyridine 1055.18
    3-pentanone 400.8
    furfural 1258.43
    n-dodecane 17.9
    diethylene glycol 872.31
    diisopropyl ether 137.79
    tert-amyl alcohol 1457.82
    acetylacetone 714.36
    n-hexadecane 19.95
    acetophenone 384.82
    methyl propionate 488.26
    isopentyl acetate 468.26
    trichloroethylene 1740.08
    n-nonanol 264.71
    cyclohexanol 1057.7
    benzyl alcohol 473.7
    2-ethylhexanol 336.82
    isooctanol 220.74
    dipropyl ether 263.43
    1,2-dichlorobenzene 370.75
    ethyl lactate 268.24
    propylene carbonate 720.19
    n-methylformamide 1543.54
    2-pentanol 866.05
    n-pentane 67.65
    1-propoxy-2-propanol 651.93
    1-methoxy-2-propyl acetate 399.08
    2-(2-methoxypropoxy) propanol 433.78
    mesitylene 86.27
    ε-caprolactone 1026.53
    p-cymene 91.73
    epichlorohydrin 1312.71
    1,1,1-trichloroethane 690.67
    2-aminoethanol 1353.91
    morpholine-4-carbaldehyde 1265.53
    sulfolane 1731.56
    2,2,4-trimethylpentane 40.69
    2-methyltetrahydrofuran 1117.81
    n-hexyl acetate 496.33
    isooctane 27.42
    2-(2-butoxyethoxy)ethanol 696.41
    sec-butyl acetate 296.58
    tert-butyl acetate 427.18
    decalin 52.02
    glycerin 1001.43
    diglyme 1158.49
    acrylic acid 1332.01
    isopropyl myristate 156.15
    n-butyric acid 1877.64
    acetyl acetate 463.97
    di(2-ethylhexyl) phthalate 183.15
    ethyl propionate 362.99
    nitromethane 3006.97
    1,2-diethoxyethane 545.23
    benzonitrile 603.96
    trioctyl phosphate 139.92
    1-bromopropane 563.52
    gamma-valerolactone 1508.46
    n-decanol 178.58
    triethyl phosphate 159.95
    4-methyl-2-pentanol 351.75
    propionitrile 990.05
    vinylene carbonate 711.17
    1,1,2-trichlorotrifluoroethane 1295.61
    DMS 292.74
    cumene 104.15
    2-octanol 205.33
    2-hexanone 596.61
    octyl acetate 218.48
    limonene 150.63
    1,2-dimethoxyethane 1585.97
    ethyl orthosilicate 159.05
    tributyl phosphate 184.84
    diacetone alcohol 610.79
    N,N-dimethylaniline 244.18
    acrylonitrile 1197.47
    aniline 443.84
    1,3-propanediol 1716.67
    bromobenzene 358.66
    dibromomethane 1055.35
    1,1,2,2-tetrachloroethane 1498.26
    2-methyl-cyclohexyl acetate 275.02
    tetrabutyl urea 233.76
    diisobutyl methanol 174.18
    2-phenylethanol 339.57
    styrene 200.6
    dioctyl adipate 264.3
    dimethyl sulfate 353.11
    ethyl butyrate 333.07
    methyl lactate 385.75
    butyl lactate 339.9
    diethyl carbonate 228.95
    propanediol butyl ether 650.4
    triethyl orthoformate 228.29
    p-tert-butyltoluene 85.4
    methyl 4-tert-butylbenzoate 319.04
    morpholine 1944.9
    tert-butylamine 1109.36
    n-dodecanol 129.26
    dimethoxymethane 762.08
    ethylene carbonate 594.45
    cyrene 408.81
    2-ethoxyethyl acetate 399.94
    2-ethylhexyl acetate 316.95
    1,2,4-trichlorobenzene 433.85
    4-methylpyridine 888.96
    dibutyl ether 307.79
    2,6-dimethyl-4-heptanol 174.18
    DEF 875.13
    dimethyl isosorbide 544.93
    tetrachloroethylene 1063.06
    eugenol 354.84
    triacetin 426.8
    span 80 439.23
    1,4-butanediol 707.01
    1,1-dichloroethane 997.16
    2-methyl-1-pentanol 782.39
    methyl formate 902.23
    2-methyl-1-butanol 1021.4
    n-decane 31.51
    butyronitrile 1146.82
    3,7-dimethyl-1-octanol 296.52
    1-chlorooctane 147.47
    1-chlorotetradecane 53.04
    n-nonane 31.2
    undecane 22.46
    tert-butylcyclohexane 49.56
    cyclooctane 26.2
    cyclopentanol 1177.27
    tetrahydropyran 1369.96
    tert-amyl methyl ether 469.8
    2,5,8-trioxanonane 756.8
    1-hexene 374.94
    2-isopropoxyethanol 704.62
    2,2,2-trifluoroethanol 786.59
    methyl butyrate 666.84

    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