2-Butene-1,4-diol, (2Z)-

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  • Identifiers

    CAS number
    6117-80-2

    Molecular formula
    C4H8O2

    SMILES
    C(/C=C\CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Ethereal 42.63%
    Alcoholic 42.0%
    Pungent 38.17%
    Sweet 38.01%
    Fruity 34.34%
    Sharp 30.98%
    Odorless 30.04%
    Fermented 28.07%
    Caramellic 26.41%
    Solvent 24.29%

     

    Flavor
    Pungent 47.65%
    Bitter 37.69%
    Green 33.51%
    Ethereal 30.84%
    Sweet 29.52%
    Odorless 29.43%
    Musty 29.28%
    Fruity 23.56%
    Fruit 22.75%
    Alcohol 22.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    8.15 (weak base)

    Molecular weight
    88.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 7 °C (45 °F)

    Boiling point

    • 141-149 °C AT 20 MM HG

    Flash point

    • 117.07 ˚C est.
    • 128 °C
    • 128 °C (263 °F) OC

    Solubility expt.

    • VERY SOL IN WATER, ETHYL ALCOHOL, ACETONE; SPARINGLY SOL IN BENZENE

  • Synonyms

    • cis-2-Butene-1,4-Diol
    • 6117-80-2
    • (Z)-but-2-ene-1,4-diol
    • (Z)-2-Butene-1,4-diol
    • 2-butene-1,4-diol, (2Z)-
    • cis-1,4-Dihydroxy-2-butene
    • 2-Butene-1,4-diol, (Z)-
    • 2-Butene-1,4-diol
    • cis-Butenediol
    • ZA7VGU6SCV
    • (2Z)-but-2-ene-1,4-diol
    • cis-2-buten-1,4-diol
    • cis-but-2-ene-1,4-diol
    • (Z)-2-buten-1,4-diol
    • EINECS 228-085-1
    • Butenediol
    • (2Z)-2-Butene-1,4-diol
    • 2-BUTENE-1,4-DIOL, CIS-
    • 110-64-5
    • 1,4-DIHYDROXY-2-BUTENE
    • UNII-ZA7VGU6SCV
    • MFCD00002924
    • Cis-2-Butene-1,4 diol
    • NSC-976
    • NSC-1260
    • (cis)-2-butene-1,4-diol
    • NSC976
    • NSC1260
    • DTXSID301018106
    • (2Z)-2-Butene-1,4-diol #
    • cis-2-Butene-1,4-diol, 97%
    • AKOS016015277
    • FB158452
    • 2-Butene-1,4-diol (mix of cis and trans)
    • B0693
    • CS-0071655
    • NS00005583
    • D70059
    • EN300-301567
    • cis-2-Butene-1,4-diol, 96%, remainder trans-isomer
    • Q27295224
    • F0001-1607

  • Applications

    2-Butene-1,4-diol, (2Z)- (CAS 6117-80-2) is primarily used as a diol building block in industrial polymer synthesis, serving as a chain extender or crosslinker in polyurethane and polyester resins. The molecule's two primary alcohol groups enable incorporation into polymer networks, while its vinyl (2Z) double bond provides a handle for further modification or crosslinking in UV-curable coatings and inks. It can function as a reactive monomer or co-monomer in unsaturated polyester resins and other vinyl-chemistry platforms, contributing to enhanced adhesion, hardness, and chemical resistance. In epoxy systems, it may act as a flexible crosslinking agent or reactive diluent, enabling tailored mechanical properties. It is also used as an intermediate in the synthesis of specialty polymers and functional additives for coatings, adhesives, and electronics-related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.64
    methanol 277.3
    isopropanol 88.21
    water 49.62
    ethyl acetate 20.51
    n-propanol 108.14
    acetone 38.76
    n-butanol 83.54
    acetonitrile 36.4
    DMF 239.38
    toluene 2.66
    isobutanol 58.82
    1,4-dioxane 76.19
    methyl acetate 34.56
    THF 105.92
    2-butanone 30.18
    n-pentanol 37.54
    sec-butanol 62.66
    n-hexane 2.61
    ethylene glycol 137.73
    NMP 200.06
    cyclohexane 4.43
    DMSO 358.54
    n-butyl acetate 21.57
    n-octanol 20.25
    chloroform 41.58
    n-propyl acetate 15.99
    acetic acid 194.21
    dichloromethane 31.7
    cyclohexanone 60.32
    propylene glycol 99.99
    isopropyl acetate 10.48
    DMAc 112.56
    2-ethoxyethanol 74.12
    isopentanol 42.5
    n-heptane 6.05
    ethyl formate 40.86
    1,2-dichloroethane 25.74
    n-hexanol 46.81
    2-methoxyethanol 180.8
    isobutyl acetate 8.88
    tetrachloromethane 15.81
    n-pentyl acetate 15.1
    transcutol 100.48
    n-heptanol 24.56
    ethylbenzene 2.73
    MIBK 12.03
    2-propoxyethanol 78.72
    tert-butanol 76.95
    MTBE 17.12
    2-butoxyethanol 49.3
    propionic acid 120.99
    o-xylene 4.73
    formic acid 195.51
    diethyl ether 17.04
    m-xylene 3.52
    p-xylene 3.9
    chlorobenzene 9.53
    dimethyl carbonate 13.75
    n-octane 2.24
    formamide 174.73
    cyclopentanone 87.17
    2-pentanone 20.6
    anisole 12.08
    cyclopentyl methyl ether 31.89
    gamma-butyrolactone 124.99
    1-methoxy-2-propanol 97.44
    pyridine 41.24
    3-pentanone 16.1
    furfural 116.21
    n-dodecane 1.76
    diethylene glycol 100.08
    diisopropyl ether 4.45
    tert-amyl alcohol 52.62
    acetylacetone 23.02
    n-hexadecane 1.81
    acetophenone 17.09
    methyl propionate 25.74
    isopentyl acetate 16.05
    trichloroethylene 45.57
    n-nonanol 17.78
    cyclohexanol 51.72
    benzyl alcohol 21.1
    2-ethylhexanol 22.89
    isooctanol 17.99
    dipropyl ether 18.9
    1,2-dichlorobenzene 12.91
    ethyl lactate 23.65
    propylene carbonate 54.06
    n-methylformamide 159.99
    2-pentanol 34.5
    n-pentane 3.11
    1-propoxy-2-propanol 53.42
    1-methoxy-2-propyl acetate 21.78
    2-(2-methoxypropoxy) propanol 37.81
    mesitylene 3.62
    ε-caprolactone 56.53
    p-cymene 6.84
    epichlorohydrin 70.99
    1,1,1-trichloroethane 19.01
    2-aminoethanol 161.61
    morpholine-4-carbaldehyde 140.02
    sulfolane 194.88
    2,2,4-trimethylpentane 2.34
    2-methyltetrahydrofuran 55.14
    n-hexyl acetate 18.9
    isooctane 1.65
    2-(2-butoxyethoxy)ethanol 51.07
    sec-butyl acetate 8.46
    tert-butyl acetate 13.57
    decalin 2.3
    glycerin 163.45
    diglyme 89.76
    acrylic acid 124.35
    isopropyl myristate 9.19
    n-butyric acid 95.5
    acetyl acetate 14.95
    di(2-ethylhexyl) phthalate 13.15
    ethyl propionate 13.24
    nitromethane 161.94
    1,2-diethoxyethane 21.13
    benzonitrile 20.3
    trioctyl phosphate 12.4
    1-bromopropane 13.14
    gamma-valerolactone 115.42
    n-decanol 13.37
    triethyl phosphate 15.3
    4-methyl-2-pentanol 14.74
    propionitrile 34.4
    vinylene carbonate 50.24
    1,1,2-trichlorotrifluoroethane 110.63
    DMS 15.31
    cumene 3.7
    2-octanol 13.78
    2-hexanone 15.34
    octyl acetate 13.05
    limonene 11.09
    1,2-dimethoxyethane 82.48
    ethyl orthosilicate 14.04
    tributyl phosphate 12.68
    diacetone alcohol 37.99
    N,N-dimethylaniline 13.0
    acrylonitrile 54.68
    aniline 19.43
    1,3-propanediol 157.69
    bromobenzene 5.97
    dibromomethane 21.63
    1,1,2,2-tetrachloroethane 46.79
    2-methyl-cyclohexyl acetate 17.93
    tetrabutyl urea 19.89
    diisobutyl methanol 13.78
    2-phenylethanol 22.22
    styrene 3.39
    dioctyl adipate 15.82
    dimethyl sulfate 40.16
    ethyl butyrate 19.62
    methyl lactate 42.8
    butyl lactate 22.22
    diethyl carbonate 13.39
    propanediol butyl ether 43.74
    triethyl orthoformate 17.12
    p-tert-butyltoluene 7.21
    methyl 4-tert-butylbenzoate 26.15
    morpholine 105.96
    tert-butylamine 39.6
    n-dodecanol 10.75
    dimethoxymethane 54.89
    ethylene carbonate 37.7
    cyrene 47.79
    2-ethoxyethyl acetate 18.03
    2-ethylhexyl acetate 12.96
    1,2,4-trichlorobenzene 16.2
    4-methylpyridine 27.1
    dibutyl ether 12.01
    2,6-dimethyl-4-heptanol 13.78
    DEF 51.87
    dimethyl isosorbide 56.57
    tetrachloroethylene 44.21
    eugenol 32.71
    triacetin 21.63
    span 80 39.92
    1,4-butanediol 59.46
    1,1-dichloroethane 17.75
    2-methyl-1-pentanol 23.73
    methyl formate 82.99
    2-methyl-1-butanol 46.06
    n-decane 2.71
    butyronitrile 31.84
    3,7-dimethyl-1-octanol 15.85
    1-chlorooctane 8.24
    1-chlorotetradecane 3.8
    n-nonane 2.61
    undecane 2.09
    tert-butylcyclohexane 2.38
    cyclooctane 1.71
    cyclopentanol 87.81
    tetrahydropyran 46.97
    tert-amyl methyl ether 15.4
    2,5,8-trioxanonane 69.67
    1-hexene 6.4
    2-isopropoxyethanol 37.86
    2,2,2-trifluoroethanol 95.41
    methyl butyrate 24.07

    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