Butyroin

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  • Identifiers

    CAS number
    496-77-5

    Molecular formula
    C8H16O2

    SMILES
    CCCC(C(=O)CCC)O

  • Odor profile

    Fragrance
    Sweet 66.1%
    Buttery 57.13%
    Caramellic 45.23%
    Nutty 44.62%
    Fruity 40.77%
    Creamy 37.64%
    Earthy 33.97%
    Oily 31.11%
    Pungent 30.05%
    Musty 28.92%

     

    Flavor
    Sweet 66.83%
    Buttery 37.15%
    Caramel 36.76%
    Pungent 31.46%
    Butter 30.52%
    Creamy 28.88%
    Cheese 28.86%
    Fruity 28.38%
    Nut 26.64%
    Milky 25.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.88 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    199°C

    Flash point

    • 84.92 ˚C est.

    Solubility expt.

    • almost insoluble in water; soluble in alcohol

  • Synonyms

    • 5-Hydroxy-4-octanone
    • 5-Hydroxyoctan-4-one
    • Butyroin
    • 496-77-5
    • 4-Octanone, 5-hydroxy-
    • 5-Octanol-4-one
    • Octan-4-ol-5-one
    • FEMA No. 2587
    • UNII-WG070EDJ4X
    • WG070EDJ4X
    • 4-hydroxy-5-octanone
    • BUTYROIN [MI]
    • NSC 1479
    • NSC-1479
    • EINECS 207-830-4
    • (+/-)-BUTYROIN
    • AI3-05612
    • DTXSID60862040
    • 5-HYDROXY-4-OCTANONE [FHFI]
    • 5-hydroxy-octan-4-one
    • MFCD00021928
    • SCHEMBL26945
    • (+/-)-5-Hydroxy-4-octanone
    • DTXCID00810868
    • NSC1479
    • CHEBI:179933
    • AKOS006227777
    • DS-16801
    • FB173025
    • B0971
    • NS00043549
    • D88723
    • Q27292617
    • 116296-89-0

  • Applications

    Butyroin, CAS 496-77-5, is primarily used as an odorant and fragrance ingredient in perfumery, and may function as a fixative to help extend scent in formulations. It is also employed as a solvent or processing aid in industrial manufacturing, including coatings and inks, and may be used in polymers/plastics as a processing aid. In cosmetics and personal care, it can serve as a fragrance component in formulations, and in household products as a fragrance solvent or aroma carrier. Its exact applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2703.53
    methanol 4271.76
    isopropanol 2220.04
    water 12.12
    ethyl acetate 546.91
    n-propanol 1964.53
    acetone 1222.36
    n-butanol 1571.5
    acetonitrile 1118.45
    DMF 1604.93
    toluene 189.41
    isobutanol 1351.29
    1,4-dioxane 1563.44
    methyl acetate 652.13
    THF 1516.77
    2-butanone 745.74
    n-pentanol 1107.63
    sec-butanol 1506.18
    n-hexane 171.14
    ethylene glycol 719.51
    NMP 1044.69
    cyclohexane 272.79
    DMSO 1579.16
    n-butyl acetate 855.0
    n-octanol 618.3
    chloroform 2266.42
    n-propyl acetate 557.25
    acetic acid 2084.74
    dichloromethane 1643.88
    cyclohexanone 1259.33
    propylene glycol 818.15
    isopropyl acetate 368.59
    DMAc 844.72
    2-ethoxyethanol 1128.82
    isopentanol 1151.25
    n-heptane 119.36
    ethyl formate 766.78
    1,2-dichloroethane 967.22
    n-hexanol 1260.76
    2-methoxyethanol 1821.67
    isobutyl acetate 392.93
    tetrachloromethane 401.71
    n-pentyl acetate 527.62
    transcutol 2035.29
    n-heptanol 615.13
    ethylbenzene 201.42
    MIBK 372.97
    2-propoxyethanol 1261.45
    tert-butanol 1975.18
    MTBE 937.54
    2-butoxyethanol 826.24
    propionic acid 1179.54
    o-xylene 176.15
    formic acid 919.14
    diethyl ether 691.15
    m-xylene 157.5
    p-xylene 279.04
    chlorobenzene 545.15
    dimethyl carbonate 169.02
    n-octane 63.34
    formamide 825.99
    cyclopentanone 1194.81
    2-pentanone 534.47
    anisole 394.69
    cyclopentyl methyl ether 560.09
    gamma-butyrolactone 1369.33
    1-methoxy-2-propanol 1063.26
    pyridine 991.3
    3-pentanone 356.99
    furfural 1233.31
    n-dodecane 53.77
    diethylene glycol 1014.08
    diisopropyl ether 209.65
    tert-amyl alcohol 1417.22
    acetylacetone 505.99
    n-hexadecane 58.29
    acetophenone 415.91
    methyl propionate 389.67
    isopentyl acetate 735.23
    trichloroethylene 1745.24
    n-nonanol 475.02
    cyclohexanol 1137.21
    benzyl alcohol 479.19
    2-ethylhexanol 664.84
    isooctanol 472.96
    dipropyl ether 434.99
    1,2-dichlorobenzene 505.18
    ethyl lactate 302.41
    propylene carbonate 789.5
    n-methylformamide 1136.15
    2-pentanol 879.38
    n-pentane 139.66
    1-propoxy-2-propanol 900.8
    1-methoxy-2-propyl acetate 457.41
    2-(2-methoxypropoxy) propanol 497.47
    mesitylene 133.06
    ε-caprolactone 1006.07
    p-cymene 185.06
    epichlorohydrin 1286.09
    1,1,1-trichloroethane 937.06
    2-aminoethanol 1298.58
    morpholine-4-carbaldehyde 1054.28
    sulfolane 1451.47
    2,2,4-trimethylpentane 89.05
    2-methyltetrahydrofuran 1032.13
    n-hexyl acetate 713.1
    isooctane 72.37
    2-(2-butoxyethoxy)ethanol 732.31
    sec-butyl acetate 328.37
    tert-butyl acetate 419.24
    decalin 111.65
    glycerin 942.25
    diglyme 1269.65
    acrylic acid 958.87
    isopropyl myristate 247.39
    n-butyric acid 1491.26
    acetyl acetate 340.0
    di(2-ethylhexyl) phthalate 245.67
    ethyl propionate 326.97
    nitromethane 1688.91
    1,2-diethoxyethane 626.65
    benzonitrile 723.81
    trioctyl phosphate 217.45
    1-bromopropane 647.74
    gamma-valerolactone 1451.52
    n-decanol 319.07
    triethyl phosphate 212.2
    4-methyl-2-pentanol 447.27
    propionitrile 931.7
    vinylene carbonate 745.41
    1,1,2-trichlorotrifluoroethane 1134.37
    DMS 330.63
    cumene 176.06
    2-octanol 453.96
    2-hexanone 622.83
    octyl acetate 322.48
    limonene 286.68
    1,2-dimethoxyethane 1585.96
    ethyl orthosilicate 222.11
    tributyl phosphate 248.14
    diacetone alcohol 556.32
    N,N-dimethylaniline 296.39
    acrylonitrile 1082.7
    aniline 429.14
    1,3-propanediol 1483.89
    bromobenzene 496.74
    dibromomethane 1175.6
    1,1,2,2-tetrachloroethane 1551.16
    2-methyl-cyclohexyl acetate 373.57
    tetrabutyl urea 304.95
    diisobutyl methanol 332.76
    2-phenylethanol 499.06
    styrene 265.64
    dioctyl adipate 333.74
    dimethyl sulfate 298.35
    ethyl butyrate 453.64
    methyl lactate 333.49
    butyl lactate 452.43
    diethyl carbonate 311.56
    propanediol butyl ether 821.0
    triethyl orthoformate 339.52
    p-tert-butyltoluene 178.79
    methyl 4-tert-butylbenzoate 403.98
    morpholine 1708.12
    tert-butylamine 1270.82
    n-dodecanol 236.44
    dimethoxymethane 625.08
    ethylene carbonate 662.81
    cyrene 405.46
    2-ethoxyethyl acetate 483.13
    2-ethylhexyl acetate 509.2
    1,2,4-trichlorobenzene 539.14
    4-methylpyridine 826.34
    dibutyl ether 474.15
    2,6-dimethyl-4-heptanol 332.76
    DEF 645.75
    dimethyl isosorbide 638.32
    tetrachloroethylene 1186.59
    eugenol 431.44
    triacetin 446.13
    span 80 525.79
    1,4-butanediol 735.68
    1,1-dichloroethane 1100.86
    2-methyl-1-pentanol 874.98
    methyl formate 841.5
    2-methyl-1-butanol 1069.12
    n-decane 92.69
    butyronitrile 1139.8
    3,7-dimethyl-1-octanol 474.79
    1-chlorooctane 316.51
    1-chlorotetradecane 120.68
    n-nonane 95.96
    undecane 67.02
    tert-butylcyclohexane 117.16
    cyclooctane 66.94
    cyclopentanol 1135.1
    tetrahydropyran 1395.62
    tert-amyl methyl ether 534.93
    2,5,8-trioxanonane 777.65
    1-hexene 493.79
    2-isopropoxyethanol 727.2
    2,2,2-trifluoroethanol 502.13
    methyl butyrate 622.95

    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