1-Buten-1-ol

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  • Identifiers

    CAS number
    56640-69-8

    Molecular formula
    C4H8O

    SMILES
    CC/C=C/O

    Safety labels

  • Odor profile

    Fragrance
    Pungent 55.25%
    Green 54.78%
    Fruity 54.26%
    Ethereal 50.22%
    Sharp 44.48%
    Fresh 37.4%
    Alcoholic 36.01%
    Alliaceous 33.39%
    Fermented 32.12%
    Gassy 31.06%

     

    Flavor
    Green 72.19%
    Fruity 72.14%
    Pungent 58.56%
    Ethereal 47.67%
    Nutty 41.35%
    Vegetable 38.63%
    Almond 35.61%
    Fruit 34.99%
    Alcohol 34.57%
    Apple 33.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.67 (weak base)

    Molecular weight
    72.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    106°C

    Flash point

    • 34.93 ˚C est.

  • Synonyms

    • 1-Buten-1-ol
    • 56640-69-8
    • RefChem:1055139
    • CH3CH2CH=CHOH
    • SCHEMBL27598
    • SCHEMBL119768
    • SCHEMBL4155165
    • 56640-69-8

  • Applications

    1-Buten-1-ol (CAS 56640-69-8) is used primarily as an intermediate in the synthesis of fragrance and flavor compounds and as a building block for ester and ether derivatives used in cosmetics and personal care. It also functions as a solvent and processing aid in industrial manufacturing, coatings, inks, and cleaning formulations. The allylic alcohol functionality enables it to serve as a monomer or comonomer in polymer chemistry for certain specialty polymers and resins. Additionally, it may act as a precursor for odorant compounds in fragrance development, depending on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 911.96
    methanol 1358.81
    isopropanol 513.41
    water 9.75
    ethyl acetate 275.25
    n-propanol 626.1
    acetone 366.86
    n-butanol 557.71
    acetonitrile 251.89
    DMF 437.78
    toluene 26.81
    isobutanol 403.32
    1,4-dioxane 466.01
    methyl acetate 231.83
    THF 793.22
    2-butanone 250.23
    n-pentanol 317.56
    sec-butanol 396.96
    n-hexane 50.3
    ethylene glycol 216.17
    NMP 556.47
    cyclohexane 48.07
    DMSO 913.21
    n-butyl acetate 422.25
    n-octanol 163.36
    chloroform 312.06
    n-propyl acetate 208.75
    acetic acid 1186.06
    dichloromethane 251.99
    cyclohexanone 461.98
    propylene glycol 220.76
    isopropyl acetate 143.79
    DMAc 178.61
    2-ethoxyethanol 302.44
    isopentanol 364.78
    n-heptane 61.42
    ethyl formate 225.96
    1,2-dichloroethane 178.98
    n-hexanol 518.92
    2-methoxyethanol 592.4
    isobutyl acetate 118.2
    tetrachloromethane 91.11
    n-pentyl acetate 169.66
    transcutol 956.71
    n-heptanol 185.33
    ethylbenzene 21.55
    MIBK 125.67
    2-propoxyethanol 509.91
    tert-butanol 535.67
    MTBE 184.76
    2-butoxyethanol 266.91
    propionic acid 652.67
    o-xylene 25.43
    formic acid 483.2
    diethyl ether 196.38
    m-xylene 28.4
    p-xylene 33.41
    chlorobenzene 99.79
    dimethyl carbonate 48.97
    n-octane 19.24
    formamide 418.71
    cyclopentanone 548.29
    2-pentanone 224.46
    anisole 75.15
    cyclopentyl methyl ether 300.58
    gamma-butyrolactone 791.26
    1-methoxy-2-propanol 374.89
    pyridine 235.86
    3-pentanone 124.92
    furfural 471.28
    n-dodecane 12.96
    diethylene glycol 351.9
    diisopropyl ether 62.65
    tert-amyl alcohol 375.78
    acetylacetone 210.52
    n-hexadecane 13.73
    acetophenone 83.89
    methyl propionate 176.06
    isopentyl acetate 290.56
    trichloroethylene 358.05
    n-nonanol 135.7
    cyclohexanol 367.29
    benzyl alcohol 93.6
    2-ethylhexanol 268.19
    isooctanol 142.36
    dipropyl ether 232.37
    1,2-dichlorobenzene 95.62
    ethyl lactate 90.93
    propylene carbonate 358.87
    n-methylformamide 430.18
    2-pentanol 299.8
    n-pentane 40.33
    1-propoxy-2-propanol 426.45
    1-methoxy-2-propyl acetate 215.77
    2-(2-methoxypropoxy) propanol 194.68
    mesitylene 23.25
    ε-caprolactone 423.54
    p-cymene 42.55
    epichlorohydrin 477.65
    1,1,1-trichloroethane 172.22
    2-aminoethanol 408.7
    morpholine-4-carbaldehyde 411.44
    sulfolane 810.36
    2,2,4-trimethylpentane 21.53
    2-methyltetrahydrofuran 605.74
    n-hexyl acetate 219.81
    isooctane 19.79
    2-(2-butoxyethoxy)ethanol 332.32
    sec-butyl acetate 108.15
    tert-butyl acetate 148.17
    decalin 20.57
    glycerin 289.92
    diglyme 458.2
    acrylic acid 520.65
    isopropyl myristate 81.21
    n-butyric acid 750.87
    acetyl acetate 141.82
    di(2-ethylhexyl) phthalate 83.72
    ethyl propionate 134.42
    nitromethane 794.3
    1,2-diethoxyethane 282.06
    benzonitrile 146.3
    trioctyl phosphate 73.2
    1-bromopropane 121.8
    gamma-valerolactone 606.85
    n-decanol 101.86
    triethyl phosphate 67.43
    4-methyl-2-pentanol 141.06
    propionitrile 224.76
    vinylene carbonate 277.05
    1,1,2-trichlorotrifluoroethane 371.34
    DMS 102.12
    cumene 24.36
    2-octanol 115.09
    2-hexanone 202.73
    octyl acetate 114.28
    limonene 85.05
    1,2-dimethoxyethane 350.76
    ethyl orthosilicate 70.67
    tributyl phosphate 91.5
    diacetone alcohol 236.01
    N,N-dimethylaniline 49.95
    acrylonitrile 256.47
    aniline 113.91
    1,3-propanediol 526.01
    bromobenzene 72.8
    dibromomethane 182.58
    1,1,2,2-tetrachloroethane 285.29
    2-methyl-cyclohexyl acetate 148.97
    tetrabutyl urea 105.35
    diisobutyl methanol 118.33
    2-phenylethanol 149.93
    styrene 28.77
    dioctyl adipate 112.1
    dimethyl sulfate 89.56
    ethyl butyrate 227.1
    methyl lactate 115.63
    butyl lactate 154.57
    diethyl carbonate 109.27
    propanediol butyl ether 247.57
    triethyl orthoformate 132.31
    p-tert-butyltoluene 39.5
    methyl 4-tert-butylbenzoate 110.94
    morpholine 576.61
    tert-butylamine 308.87
    n-dodecanol 77.14
    dimethoxymethane 190.51
    ethylene carbonate 229.56
    cyrene 148.22
    2-ethoxyethyl acetate 175.4
    2-ethylhexyl acetate 208.39
    1,2,4-trichlorobenzene 112.32
    4-methylpyridine 180.56
    dibutyl ether 161.91
    2,6-dimethyl-4-heptanol 118.33
    DEF 257.96
    dimethyl isosorbide 301.62
    tetrachloroethylene 252.58
    eugenol 139.38
    triacetin 149.47
    span 80 241.37
    1,4-butanediol 190.77
    1,1-dichloroethane 165.62
    2-methyl-1-pentanol 241.5
    methyl formate 250.39
    2-methyl-1-butanol 344.96
    n-decane 22.15
    butyronitrile 291.58
    3,7-dimethyl-1-octanol 151.48
    1-chlorooctane 77.12
    1-chlorotetradecane 30.32
    n-nonane 22.9
    undecane 16.16
    tert-butylcyclohexane 24.75
    cyclooctane 14.54
    cyclopentanol 513.48
    tetrahydropyran 469.34
    tert-amyl methyl ether 133.68
    2,5,8-trioxanonane 311.86
    1-hexene 124.78
    2-isopropoxyethanol 193.36
    2,2,2-trifluoroethanol 279.86
    methyl butyrate 213.61

    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