1,4-Butanediol

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  • Identifiers

    CAS number
    110-63-4

    Molecular formula
    C4H10O2

    SMILES
    C(CCO)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Alcoholic 52.28%
    Odorless 52.05%
    Ethereal 32.97%
    Sweet 31.97%
    Oily 30.21%
    Solvent 28.63%
    Fishy 25.97%
    Fermented 22.82%
    Fruity 22.25%
    Pungent 19.32%

     

    Flavor
    Sweet 59.57%
    Alcoholic 56.16%
    Bitter 51.04%
    Odorless 50.19%
    Musty 39.04%
    Pungent 34.46%
    Fusel 32.33%
    Fruit 28.77%
    Oil 28.64%
    Alcohol 27.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    8.72 (weak base)

    Molecular weight
    90.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 61 °F (NTP, 1992)
    • 20.1 °C
    • 20.43 °C
    • 20 °C

    Boiling point

    • 446 °F at 760 mmHg (NTP, 1992)
    • 235 °C
    • 229.5 °C
    • 228 °C

    Flash point

    • 111.69 ˚C est.
    • 247 °F (NTP, 1992)
    • 121 °C
    • 134 °C (273 °F) - closed cup
    • 250 °F (121 °C) - open cup
    • 121 °C o.c.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
    • 1000000 mg/L (at 20 °C)
    • In water, 1.0X10+6 mg/L at 20 °C /miscible/
    • Miscible in water
    • Soluble in water
    • Readily soluble in water
    • For more Solubility (Complete) data for 1,4-Butanediol (7 total), please visit the HSDB record page.
    • Solubility in water: miscible

  • Synonyms

    • 1,4-BUTANEDIOL
    • Butane-1,4-diol
    • 110-63-4
    • Tetramethylene glycol
    • 1,4-Butylene glycol
    • 1,4-Dihydroxybutane
    • 1,4-Tetramethylene glycol
    • Tetramethylene 1,4-diol
    • Sucol B
    • DIOL 14B
    • 1,4-BD
    • Agrisynth B1D
    • HO(CH2)4OH
    • CCRIS 5984
    • NSC 406696
    • HSDB 1112
    • HOCH2CH2CH2CH2OH
    • UNII-7XOO2LE6G3
    • EINECS 203-786-5
    • 7XOO2LE6G3
    • MFCD00002968
    • BRN 1633445
    • 1,4 butylene glycol
    • DTXSID2024666
    • CHEBI:41189
    • AI3-07553
    • NSC-406696
    • DTXCID804666
    • EC 203-786-5
    • 4-01-00-02515 (Beilstein Handbook Reference)
    • BDO
    • Dabco DBO
    • BU1
    • CAS-110-63-4
    • Dihydroxybutane
    • 4-hydroxybutanol
    • 1,4butanediol
    • 1.4-butanediol
    • Dabco BDO
    • 1,4-butandiol
    • 1,4-butane diol
    • 1,4-butane-diol
    • butane 1,4-diol
    • butane diol-1,4
    • butane-1-4-diol
    • 1,4- butandiol
    • Butan-1.4-diol
    • 1.4 - butanediol
    • 1,4-butane-d8-diol
    • 1,4-BUTANDIOLE
    • 1,4-Butanediol, 99%
    • WLN: Q4Q
    • MLS001061198
    • CHEMBL171623
    • 1,4-BUTANEDIOL [MI]
    • 1,4-BUTANEDIOL [HSDB]
    • HMS3039N12
    • LBA68444
    • LLA01295
    • NBA27425
    • WCA76076
    • ZCA82949
    • Tox21_202245
    • Tox21_303040
    • NSC406696
    • STL283940
    • AKOS000118735
    • 1,4-Butanediol, for synthesis, 98%
    • CS-W016669
    • DB01955
    • 1,4-Butanediol, ReagentPlus(R), 99%
    • NCGC00090733-01
    • NCGC00090733-02
    • NCGC00257119-01
    • NCGC00259794-01
    • BP-21418
    • SMR000677930
    • 1,4-Butanediol, ReagentPlus(R), >=99%
    • Polytetramethylene Ether Glycol Polyol 220
    • B0680
    • NS00006936
    • F71206
    • 1,4-Butanediol, Vetec(TM) reagent grade, 98%
    • Q161521
    • F0001-0222
    • InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H
    • 203-786-5
    • 615-930-8
    • 732189-03-6

  • Applications

    1,4-Butanediol (CAS 110-63-4) is a linear diol widely used as a building block in polymer manufacture, notably for polybutylene terephthalate (PBT) resins and in polyurethane formulations where it serves as a diol chain extender. It is also a key precursor to other industrial chemicals, including tetrahydrofuran (THF) by dehydration and gamma-butyrolactone (GBL) by lactonization, making it an important intermediate in the plastics and chemical industries. BDO is used as a processing solvent and reaction medium in chemical synthesis and as a diol component in coatings, inks, and adhesive formulations. Its bifunctional OH groups enable incorporation into polyesters, polyurethanes, and related polymers, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 249.21
    methanol 553.28
    isopropanol 139.29
    water 113.46
    ethyl acetate 17.24
    n-propanol 182.11
    acetone 30.78
    n-butanol 141.1
    acetonitrile 30.47
    DMF 146.49
    toluene 2.41
    isobutanol 95.34
    1,4-dioxane 67.48
    methyl acetate 24.91
    THF 105.28
    2-butanone 24.75
    n-pentanol 56.45
    sec-butanol 92.18
    n-hexane 3.53
    ethylene glycol 257.93
    NMP 159.96
    cyclohexane 5.2
    DMSO 278.71
    n-butyl acetate 24.25
    n-octanol 27.23
    chloroform 54.35
    n-propyl acetate 15.85
    acetic acid 327.84
    dichloromethane 37.59
    cyclohexanone 62.88
    propylene glycol 203.56
    isopropyl acetate 9.15
    DMAc 69.5
    2-ethoxyethanol 100.77
    isopentanol 66.42
    n-heptane 7.12
    ethyl formate 42.86
    1,2-dichloroethane 23.55
    n-hexanol 69.59
    2-methoxyethanol 253.77
    isobutyl acetate 8.98
    tetrachloromethane 19.98
    n-pentyl acetate 18.08
    transcutol 132.64
    n-heptanol 37.72
    ethylbenzene 2.83
    MIBK 9.78
    2-propoxyethanol 114.0
    tert-butanol 106.66
    MTBE 14.7
    2-butoxyethanol 77.12
    propionic acid 184.24
    o-xylene 3.97
    formic acid 387.55
    diethyl ether 14.67
    m-xylene 3.08
    p-xylene 3.95
    chlorobenzene 10.17
    dimethyl carbonate 8.85
    n-octane 2.59
    formamide 250.84
    cyclopentanone 84.83
    2-pentanone 17.46
    anisole 10.33
    cyclopentyl methyl ether 28.65
    gamma-butyrolactone 125.54
    1-methoxy-2-propanol 124.91
    pyridine 41.05
    3-pentanone 11.99
    furfural 126.15
    n-dodecane 1.85
    diethylene glycol 151.21
    diisopropyl ether 3.82
    tert-amyl alcohol 71.2
    acetylacetone 18.6
    n-hexadecane 1.89
    acetophenone 15.28
    methyl propionate 19.94
    isopentyl acetate 18.15
    trichloroethylene 44.64
    n-nonanol 23.0
    cyclohexanol 72.06
    benzyl alcohol 24.86
    2-ethylhexanol 31.6
    isooctanol 25.85
    dipropyl ether 19.82
    1,2-dichlorobenzene 13.18
    ethyl lactate 25.11
    propylene carbonate 56.75
    n-methylformamide 162.1
    2-pentanol 46.69
    n-pentane 3.68
    1-propoxy-2-propanol 75.73
    1-methoxy-2-propyl acetate 21.56
    2-(2-methoxypropoxy) propanol 46.34
    mesitylene 3.12
    ε-caprolactone 63.58
    p-cymene 6.66
    epichlorohydrin 63.53
    1,1,1-trichloroethane 16.41
    2-aminoethanol 312.08
    morpholine-4-carbaldehyde 129.35
    sulfolane 190.97
    2,2,4-trimethylpentane 2.56
    2-methyltetrahydrofuran 54.96
    n-hexyl acetate 22.37
    isooctane 1.74
    2-(2-butoxyethoxy)ethanol 68.77
    sec-butyl acetate 8.04
    tert-butyl acetate 11.42
    decalin 2.58
    glycerin 296.66
    diglyme 102.09
    acrylic acid 190.88
    isopropyl myristate 9.86
    n-butyric acid 149.1
    acetyl acetate 13.63
    di(2-ethylhexyl) phthalate 16.84
    ethyl propionate 12.13
    nitromethane 158.57
    1,2-diethoxyethane 20.94
    benzonitrile 21.59
    trioctyl phosphate 15.65
    1-bromopropane 12.72
    gamma-valerolactone 121.42
    n-decanol 16.64
    triethyl phosphate 15.02
    4-methyl-2-pentanol 18.34
    propionitrile 33.09
    vinylene carbonate 53.65
    1,1,2-trichlorotrifluoroethane 137.9
    DMS 15.09
    cumene 3.75
    2-octanol 19.8
    2-hexanone 14.91
    octyl acetate 14.12
    limonene 10.98
    1,2-dimethoxyethane 79.41
    ethyl orthosilicate 14.27
    tributyl phosphate 16.1
    diacetone alcohol 37.0
    N,N-dimethylaniline 10.95
    acrylonitrile 54.26
    aniline 21.08
    1,3-propanediol 308.49
    bromobenzene 6.28
    dibromomethane 25.34
    1,1,2,2-tetrachloroethane 48.7
    2-methyl-cyclohexyl acetate 20.05
    tetrabutyl urea 22.22
    diisobutyl methanol 16.02
    2-phenylethanol 26.03
    styrene 3.52
    dioctyl adipate 18.5
    dimethyl sulfate 25.85
    ethyl butyrate 19.63
    methyl lactate 42.01
    butyl lactate 31.92
    diethyl carbonate 13.47
    propanediol butyl ether 71.04
    triethyl orthoformate 18.3
    p-tert-butyltoluene 7.05
    methyl 4-tert-butylbenzoate 27.37
    morpholine 105.69
    tert-butylamine 52.63
    n-dodecanol 12.82
    dimethoxymethane 36.18
    ethylene carbonate 41.4
    cyrene 50.89
    2-ethoxyethyl acetate 19.56
    2-ethylhexyl acetate 14.54
    1,2,4-trichlorobenzene 15.85
    4-methylpyridine 23.89
    dibutyl ether 12.4
    2,6-dimethyl-4-heptanol 16.02
    DEF 39.35
    dimethyl isosorbide 62.44
    tetrachloroethylene 53.73
    eugenol 38.03
    triacetin 25.14
    span 80 57.84
    1,4-butanediol 103.19
    1,1-dichloroethane 15.55
    2-methyl-1-pentanol 34.67
    methyl formate 78.56
    2-methyl-1-butanol 68.99
    n-decane 2.94
    butyronitrile 34.45
    3,7-dimethyl-1-octanol 20.49
    1-chlorooctane 8.98
    1-chlorotetradecane 3.99
    n-nonane 2.89
    undecane 2.21
    tert-butylcyclohexane 2.73
    cyclooctane 1.87
    cyclopentanol 130.24
    tetrahydropyran 47.25
    tert-amyl methyl ether 13.05
    2,5,8-trioxanonane 79.32
    1-hexene 8.19
    2-isopropoxyethanol 49.03
    2,2,2-trifluoroethanol 136.27
    methyl butyrate 23.09

    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