1-Hydroxy-2-butanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5077-67-8

    Molecular formula
    C4H8O2

    SMILES
    CCC(=O)CO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Caramellic 69.85%
    Sweet 69.61%
    Buttery 60.19%
    Ethereal 49.36%
    Oily 45.93%
    Nutty 43.4%
    Creamy 39.01%
    Musty 38.71%
    Alcoholic 37.92%
    Pungent 37.49%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.2

    Molecular weight
    88.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 152.00 to 154.00 °C. @ 760.00 mm Hg

    Flash point est.
    65.91 ˚C

    Solubility expt.

    • Insoluble in water; soluble in diethyl ether
    • Soluble (in ethanol)

  • Synonyms

    • 1-Hydroxybutan-2-one
    • 1-Hydroxy-2-butanone
    • 5077-67-8
    • 2-Butanone, 1-hydroxy-
    • 2-Oxobutanol
    • Ethyl hydroxymethyl ketone
    • FEMA No. 3173
    • 2-Oxo-1-butanol
    • hydroxybutanone
    • 1-hydroxybutanone
    • UNII-M57N50D82D
    • M57N50D82D
    • PROPIONYL CARBINOL
    • EINECS 225-790-6
    • MFCD00010259
    • DTXSID1063693
    • CHEBI:88390
    • FEMA 3173
    • 1-HYDROXY-2-BUTANONE [FHFI]
    • 1-hydroxy-butan-2-one
    • DTXCID6040905
    • BBL103144
    • STL556954
    • AKOS007930063
    • CS-W005327
    • HY-W005327
    • SB83812
    • AS-57317
    • DA-69553
    • FH159084
    • PD164974
    • SY012223
    • NS00022259
    • C75383
    • EN300-195795
    • Q27160237

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 292.25
    methanol 684.12
    isopropanol 144.24
    water 245.89
    ethyl acetate 50.1
    n-propanol 182.5
    acetone 110.24
    n-butanol 150.16
    acetonitrile 114.58
    DMF 291.2
    toluene 6.03
    isobutanol 126.95
    1,4-dioxane 169.23
    methyl acetate 68.07
    THF 179.74
    2-butanone 67.47
    n-pentanol 105.91
    sec-butanol 117.3
    n-hexane 6.15
    ethylene glycol 227.14
    NMP 273.7
    cyclohexane 7.75
    DMSO 427.04
    n-butyl acetate 49.76
    n-octanol 53.64
    chloroform 80.32
    n-propyl acetate 42.84
    acetic acid 656.62
    dichloromethane 97.91
    cyclohexanone 115.05
    propylene glycol 130.0
    isopropyl acetate 28.77
    DMAc 169.5
    2-ethoxyethanol 205.15
    isopentanol 115.86
    n-heptane 6.94
    ethyl formate 85.82
    1,2-dichloroethane 61.01
    n-hexanol 78.29
    2-methoxyethanol 334.0
    isobutyl acetate 24.64
    tetrachloromethane 27.75
    n-pentyl acetate 47.51
    transcutol 529.56
    n-heptanol 52.24
    ethylbenzene 7.45
    MIBK 37.44
    2-propoxyethanol 136.26
    tert-butanol 177.81
    MTBE 57.06
    2-butoxyethanol 111.25
    propionic acid 219.71
    o-xylene 11.37
    formic acid 755.61
    diethyl ether 42.72
    m-xylene 8.16
    p-xylene 12.74
    chlorobenzene 21.26
    dimethyl carbonate 17.88
    n-octane 3.81
    formamide 611.41
    cyclopentanone 143.26
    2-pentanone 49.89
    anisole 33.78
    cyclopentyl methyl ether 56.82
    gamma-butyrolactone 220.33
    1-methoxy-2-propanol 148.24
    pyridine 77.53
    3-pentanone 34.19
    furfural 233.1
    n-dodecane 3.38
    diethylene glycol 184.12
    diisopropyl ether 13.47
    tert-amyl alcohol 148.02
    acetylacetone 66.93
    n-hexadecane 3.49
    acetophenone 43.93
    methyl propionate 41.66
    isopentyl acetate 47.38
    trichloroethylene 107.02
    n-nonanol 45.86
    cyclohexanol 93.81
    benzyl alcohol 54.68
    2-ethylhexanol 46.89
    isooctanol 45.81
    dipropyl ether 26.39
    1,2-dichlorobenzene 29.42
    ethyl lactate 36.36
    propylene carbonate 93.66
    n-methylformamide 253.33
    2-pentanol 70.57
    n-pentane 6.31
    1-propoxy-2-propanol 86.71
    1-methoxy-2-propyl acetate 48.67
    2-(2-methoxypropoxy) propanol 108.15
    mesitylene 8.54
    ε-caprolactone 124.03
    p-cymene 12.76
    epichlorohydrin 144.77
    1,1,1-trichloroethane 37.62
    2-aminoethanol 281.44
    morpholine-4-carbaldehyde 249.74
    sulfolane 283.94
    2,2,4-trimethylpentane 6.41
    2-methyltetrahydrofuran 124.16
    n-hexyl acetate 64.95
    isooctane 4.09
    2-(2-butoxyethoxy)ethanol 162.33
    sec-butyl acetate 23.67
    tert-butyl acetate 40.18
    decalin 5.29
    glycerin 237.41
    diglyme 254.27
    acrylic acid 232.28
    isopropyl myristate 25.62
    n-butyric acid 194.92
    acetyl acetate 40.5
    di(2-ethylhexyl) phthalate 36.93
    ethyl propionate 28.15
    nitromethane 468.38
    1,2-diethoxyethane 88.52
    benzonitrile 58.8
    trioctyl phosphate 28.49
    1-bromopropane 25.63
    gamma-valerolactone 222.73
    n-decanol 33.02
    triethyl phosphate 26.93
    4-methyl-2-pentanol 44.75
    propionitrile 64.86
    vinylene carbonate 89.68
    1,1,2-trichlorotrifluoroethane 193.37
    DMS 40.75
    cumene 10.96
    2-octanol 36.03
    2-hexanone 46.73
    octyl acetate 34.77
    limonene 20.86
    1,2-dimethoxyethane 182.15
    ethyl orthosilicate 26.64
    tributyl phosphate 35.54
    diacetone alcohol 87.56
    N,N-dimethylaniline 30.81
    acrylonitrile 103.08
    aniline 38.19
    1,3-propanediol 295.0
    bromobenzene 13.98
    dibromomethane 56.18
    1,1,2,2-tetrachloroethane 86.83
    2-methyl-cyclohexyl acetate 42.96
    tetrabutyl urea 44.3
    diisobutyl methanol 29.03
    2-phenylethanol 49.8
    styrene 9.5
    dioctyl adipate 46.83
    dimethyl sulfate 47.86
    ethyl butyrate 37.98
    methyl lactate 50.79
    butyl lactate 57.78
    diethyl carbonate 25.56
    propanediol butyl ether 119.43
    triethyl orthoformate 32.91
    p-tert-butyltoluene 11.93
    methyl 4-tert-butylbenzoate 62.91
    morpholine 194.36
    tert-butylamine 89.74
    n-dodecanol 24.98
    dimethoxymethane 80.67
    ethylene carbonate 65.21
    cyrene 99.05
    2-ethoxyethyl acetate 69.36
    2-ethylhexyl acetate 34.62
    1,2,4-trichlorobenzene 37.13
    4-methylpyridine 56.65
    dibutyl ether 36.6
    2,6-dimethyl-4-heptanol 29.03
    DEF 88.92
    dimethyl isosorbide 146.29
    tetrachloroethylene 88.81
    eugenol 80.84
    triacetin 75.44
    span 80 99.34
    1,4-butanediol 145.21
    1,1-dichloroethane 35.08
    2-methyl-1-pentanol 92.62
    methyl formate 150.17
    2-methyl-1-butanol 114.34
    n-decane 5.05
    butyronitrile 72.27
    3,7-dimethyl-1-octanol 51.69
    1-chlorooctane 19.44
    1-chlorotetradecane 8.28
    n-nonane 4.91
    undecane 3.95
    tert-butylcyclohexane 6.08
    cyclooctane 3.04
    cyclopentanol 132.86
    tetrahydropyran 91.81
    tert-amyl methyl ether 47.86
    2,5,8-trioxanonane 186.75
    1-hexene 16.65
    2-isopropoxyethanol 116.68
    2,2,2-trifluoroethanol 254.39
    methyl butyrate 54.12

    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

Botanical

Name CAS Botanical Proportion
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.19%