1,2-Butanediol

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  • Identifiers

    CAS number
    584-03-2

    Molecular formula
    C4H10O2

    SMILES
    CCC(CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 44.73%
    Alcoholic 42.74%
    Fruity 38.89%
    Sweet 36.26%
    Buttery 34.09%
    Ethereal 32.55%
    Oily 30.78%
    Caramellic 30.65%
    Solvent 29.48%
    Fermented 25.15%

     

    Flavor
    Odorless 60.84%
    Sweet 48.96%
    Alcoholic 42.04%
    Bitter 33.59%
    Musty 27.4%
    Very slight 27.12%
    Sweet-like 27.01%
    Buttery 26.93%
    Fruit 26.06%
    Pungent 25.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    7.6 (neutral)

    Molecular weight
    90.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -50 °C
    • -114 °C

    Boiling point

    • 195-196.9 °C
    • 194 °C

    Flash point

    • 89.88 ˚C est.
    • 90 °C
    • 40 °C (104 °F) (CLOSED CUP)
    • 93 °C c.c.

    Solubility expt.

    • SPECIFIC OPTICAL ROTATION: -7.4 DEG AT 22 °C/D (ALCOHOL, 4%); SOL IN WATER, ALCOHOL & ACETONE /L-FORM/
    • Miscible with water in all proportions, readily soluble in alcohols, slightly soluble in ethers and esters, and insoluble in hydrocarbons.
    • Solubility in water: miscible

  • Synonyms

    • 1,2-BUTANEDIOL
    • butane-1,2-diol
    • 584-03-2
    • 1,2-Butylene glycol
    • 1,2-Dihydroxybutane
    • alpha-Butylene glycol
    • alpha-Butyleneglycol
    • RUN0H01QEU
    • DTXSID6040375
    • NSC-24242
    • DTXCID4020375
    • CHEBI:52682
    • Massage Oil
    • RefChem:934958
    • GlyTouCan:G97015BO
    • G97015BO
    • 209-527-2
    • 26171-83-5
    • 1,2-Butandiol
    • Butanediol, 1,2-
    • 1,2-(Dihydroxy)butane
    • MFCD00004570
    • NSC 24242
    • DL-1,2-Butanediol
    • .alpha.-Butylene glycol
    • HSDB 1507
    • EINECS 209-527-2
    • UNII-RUN0H01QEU
    • BRN 0969169
    • AI3-07554
    • butanol-2-ol
    • (+/-)-BUTANE-1,2-DIOL
    • 1,2-butylene-glycol
    • 1,2-Butanediol, 98%
    • SCHEMBL6647
    • (+/-)-1,2-butanediol
    • SCHEMBL39506
    • SCHEMBL94889
    • .+/-.-1,2-Butanediol
    • 4-01-00-02507 (Beilstein Handbook Reference)
    • SCHEMBL269843
    • SCHEMBL269935
    • SCHEMBL545099
    • SCHEMBL567519
    • SCHEMBL598981
    • SCHEMBL609302
    • SCHEMBL1371509
    • SCHEMBL2879240
    • SCHEMBL9139875
    • SCHEMBL16860060
    • SCHEMBL22833843
    • 1,2-BUTANEDIOL [HSDB]
    • 1,2-Butanediol, (.+/-.)-
    • NSC24242
    • Tox21_303800
    • MSK002150
    • AKOS009156823
    • SB44654
    • SB44658
    • SB83785
    • NCGC00356996-01
    • AS-56547
    • CAS-584-03-2
    • SY049664
    • 1,2-Butanediol, purum, >=98.0% (GC)
    • B0804
    • NS00042568
    • EN300-67111
    • E78102
    • Q161457
    • Z600450538
    • 584-03-2

  • Applications

    1,2-Butanediol (CAS 584-03-2) is a versatile solvent used in coatings and inks, as well as cleaning formulations for industrial processes; it serves as an important chemical intermediate for plastics and polyurethanes and as a precursor for other polymers; it can function as a plasticizer for certain polymers and as a humectant/solvent in cosmetics and personal care; it may be evaluated as a chiral building block for pharmaceutical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 286.67
    methanol 774.57
    isopropanol 115.8
    water 288.56
    ethyl acetate 29.22
    n-propanol 182.11
    acetone 41.16
    n-butanol 153.09
    acetonitrile 36.44
    DMF 154.43
    toluene 2.35
    isobutanol 108.63
    1,4-dioxane 98.1
    methyl acetate 27.78
    THF 141.73
    2-butanone 27.95
    n-pentanol 69.42
    sec-butanol 92.61
    n-hexane 3.01
    ethylene glycol 355.69
    NMP 166.63
    cyclohexane 5.78
    DMSO 329.92
    n-butyl acetate 36.39
    n-octanol 32.02
    chloroform 23.01
    n-propyl acetate 20.56
    acetic acid 635.74
    dichloromethane 23.21
    cyclohexanone 69.58
    propylene glycol 211.03
    isopropyl acetate 17.05
    DMAc 86.17
    2-ethoxyethanol 167.99
    isopentanol 98.93
    n-heptane 6.53
    ethyl formate 56.14
    1,2-dichloroethane 16.65
    n-hexanol 84.03
    2-methoxyethanol 386.1
    isobutyl acetate 13.21
    tetrachloromethane 12.66
    n-pentyl acetate 24.44
    transcutol 325.12
    n-heptanol 47.13
    ethylbenzene 2.17
    MIBK 19.35
    2-propoxyethanol 155.85
    tert-butanol 125.94
    MTBE 24.06
    2-butoxyethanol 99.81
    propionic acid 201.37
    o-xylene 4.01
    formic acid 942.01
    diethyl ether 22.13
    m-xylene 3.47
    p-xylene 3.42
    chlorobenzene 7.34
    dimethyl carbonate 9.28
    n-octane 2.41
    formamide 568.95
    cyclopentanone 90.55
    2-pentanone 26.43
    anisole 10.58
    cyclopentyl methyl ether 41.64
    gamma-butyrolactone 131.86
    1-methoxy-2-propanol 152.3
    pyridine 32.29
    3-pentanone 15.88
    furfural 136.3
    n-dodecane 1.77
    diethylene glycol 247.23
    diisopropyl ether 7.91
    tert-amyl alcohol 98.62
    acetylacetone 34.81
    n-hexadecane 1.78
    acetophenone 15.33
    methyl propionate 23.36
    isopentyl acetate 30.63
    trichloroethylene 31.65
    n-nonanol 27.44
    cyclohexanol 95.48
    benzyl alcohol 25.75
    2-ethylhexanol 41.88
    isooctanol 35.99
    dipropyl ether 23.77
    1,2-dichlorobenzene 8.72
    ethyl lactate 27.61
    propylene carbonate 60.0
    n-methylformamide 191.83
    2-pentanol 58.81
    n-pentane 3.91
    1-propoxy-2-propanol 100.03
    1-methoxy-2-propyl acetate 37.13
    2-(2-methoxypropoxy) propanol 73.31
    mesitylene 3.94
    ε-caprolactone 74.77
    p-cymene 6.18
    epichlorohydrin 71.67
    1,1,1-trichloroethane 11.44
    2-aminoethanol 404.52
    morpholine-4-carbaldehyde 163.07
    sulfolane 182.39
    2,2,4-trimethylpentane 3.26
    2-methyltetrahydrofuran 83.5
    n-hexyl acetate 29.82
    isooctane 2.58
    2-(2-butoxyethoxy)ethanol 118.41
    sec-butyl acetate 12.23
    tert-butyl acetate 23.57
    decalin 2.45
    glycerin 367.5
    diglyme 165.5
    acrylic acid 202.89
    isopropyl myristate 12.54
    n-butyric acid 214.32
    acetyl acetate 22.77
    di(2-ethylhexyl) phthalate 21.07
    ethyl propionate 13.13
    nitromethane 245.41
    1,2-diethoxyethane 43.18
    benzonitrile 18.79
    trioctyl phosphate 18.82
    1-bromopropane 7.98
    gamma-valerolactone 151.26
    n-decanol 20.17
    triethyl phosphate 16.2
    4-methyl-2-pentanol 33.73
    propionitrile 27.52
    vinylene carbonate 49.63
    1,1,2-trichlorotrifluoroethane 155.32
    DMS 16.88
    cumene 3.47
    2-octanol 23.59
    2-hexanone 19.71
    octyl acetate 18.59
    limonene 11.33
    1,2-dimethoxyethane 104.7
    ethyl orthosilicate 16.58
    tributyl phosphate 20.21
    diacetone alcohol 64.12
    N,N-dimethylaniline 10.41
    acrylonitrile 39.05
    aniline 21.91
    1,3-propanediol 454.59
    bromobenzene 4.3
    dibromomethane 14.23
    1,1,2,2-tetrachloroethane 28.47
    2-methyl-cyclohexyl acetate 24.69
    tetrabutyl urea 25.12
    diisobutyl methanol 21.89
    2-phenylethanol 30.98
    styrene 2.64
    dioctyl adipate 23.53
    dimethyl sulfate 24.3
    ethyl butyrate 27.12
    methyl lactate 42.57
    butyl lactate 40.02
    diethyl carbonate 15.3
    propanediol butyl ether 100.31
    triethyl orthoformate 22.97
    p-tert-butyltoluene 6.53
    methyl 4-tert-butylbenzoate 33.11
    morpholine 141.1
    tert-butylamine 54.08
    n-dodecanol 15.31
    dimethoxymethane 46.11
    ethylene carbonate 41.98
    cyrene 68.8
    2-ethoxyethyl acetate 32.18
    2-ethylhexyl acetate 21.89
    1,2,4-trichlorobenzene 11.47
    4-methylpyridine 18.56
    dibutyl ether 16.91
    2,6-dimethyl-4-heptanol 21.89
    DEF 48.58
    dimethyl isosorbide 101.04
    tetrachloroethylene 36.96
    eugenol 45.46
    triacetin 34.99
    span 80 82.71
    1,4-butanediol 166.56
    1,1-dichloroethane 8.98
    2-methyl-1-pentanol 54.52
    methyl formate 96.61
    2-methyl-1-butanol 98.97
    n-decane 2.64
    butyronitrile 34.1
    3,7-dimethyl-1-octanol 31.48
    1-chlorooctane 7.72
    1-chlorotetradecane 3.59
    n-nonane 2.57
    undecane 2.06
    tert-butylcyclohexane 2.76
    cyclooctane 2.53
    cyclopentanol 133.24
    tetrahydropyran 57.15
    tert-amyl methyl ether 23.16
    2,5,8-trioxanonane 129.35
    1-hexene 6.34
    2-isopropoxyethanol 82.61
    2,2,2-trifluoroethanol 211.05
    methyl butyrate 26.04

    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