1,2,4-Butanetriol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3068-00-6

    Molecular formula
    C4H10O3

    SMILES
    C(CO)C(CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 62.39%
    Alcoholic 37.71%
    Sweet 35.17%
    Fruity 25.6%
    Oily 23.15%
    Buttery 22.68%
    Ethereal 22.34%
    Fishy 22.19%
    Solvent 20.09%
    Caramellic 19.64%

     

    Flavor
    Odorless 73.38%
    Sweet 56.97%
    Bitter 34.6%
    Alcoholic 33.7%
    Sweet-like 31.45%
    Very slight 26.58%
    Musty 23.55%
    Buttery 22.57%
    Fruit 22.34%
    Cauliflower 22.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    7.35 (neutral)

    Molecular weight
    106.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    299°C

    Flash point

    • 151.68 ˚C est.

  • Synonyms

    • 1,2,4-BUTANETRIOL
    • 3068-00-6
    • Butane-1,2,4-Triol
    • 2-Deoxyerythritol
    • 1,2,4-Trihydroxybutane
    • 1,3,4-Butanetriol
    • Triol 124
    • (+/-)-1,2,4-Butanetriol
    • 1,2,4-Butantriol
    • EINECS 221-323-5
    • MFCD00002929
    • NSC 60197
    • UNII-NK798C370H
    • BRN 1733456
    • DTXSID8044416
    • NSC-60197
    • HOCH2CH(OH)CH2CH2OH
    • DTXCID6024416
    • CHEBI:88063
    • NK798C370H
    • 2-01-00-00596 (Beilstein Handbook Reference)
    • 1,2,4-Butantriol [German]
    • Butane-1,2,4-Triol, 1,2,4-Trihydroxybutane,
    • 2Deoxyerythritol
    • MFCD00063213
    • 1,4-Butanetriol
    • 1,2,4butantriol
    • 1,3,4Butanetriol
    • Butane-1,4-Triol
    • 1,4-Trihydroxybutane
    • 2,4-Trihydroxybutane
    • 1.2.4-Butanetriol
    • 1,2,4-butane triol
    • 1,2,4Trihydroxybutane
    • ( inverted exclamation markA)-1,2,4-Butanetriol
    • SCHEMBL29798
    • CHEMBL1356759
    • (+/-)-butane-1,2,4-triol
    • NSC60197
    • Tox21_303969
    • AC2226
    • AKOS000120020
    • FB37352
    • NCGC00166053-01
    • NCGC00166117-01
    • NCGC00166126-01
    • NCGC00356954-01
    • AS-12262
    • SY003295
    • SY274042
    • CAS-3068-00-6
    • DB-018072
    • DB-068322
    • B0687
    • CS-0008443
    • NS00028954
    • EN300-20062
    • (+/-)-1,2,4-Butanetriol, analytical standard
    • Q4187980
    • ( inverted exclamation markA)-1,2,4-Butanetriol (BT)
    • (+/-)-1,2,4-Butanetriol, technical, >=90% (GC)
    • (R)-(+)-1,2,4-BUTANETRIOL;(R)-Butane-1,2,4-triol
    • A637710B-C321-4E3F-A354-64FC18733531

  • Applications

    1,2,4-Butanetriol (CAS 3068-00-6) is a multifunctional triol used as a crosslinking and building-block monomer in polymer systems such as polyurethanes, polyesters, epoxies, and acrylates, contributing to harder, more chemically resistant coatings, adhesives, and plastics. It serves as an intermediate for the synthesis of specialty polyols and resins in industrial manufacturing. Given its three hydroxyl groups, it may also be considered as a humectant or formulation additive in cosmetics and personal care, depending on regulatory allowances and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 90.07
    methanol 302.73
    isopropanol 43.57
    water 2196.86
    ethyl acetate 9.27
    n-propanol 57.69
    acetone 21.93
    n-butanol 33.2
    acetonitrile 13.44
    DMF 388.94
    toluene 0.64
    isobutanol 30.4
    1,4-dioxane 39.73
    methyl acetate 10.45
    THF 53.8
    2-butanone 10.86
    n-pentanol 13.89
    sec-butanol 29.74
    n-hexane 0.5
    ethylene glycol 700.85
    NMP 276.35
    cyclohexane 1.46
    DMSO 576.81
    n-butyl acetate 6.86
    n-octanol 8.29
    chloroform 4.26
    n-propyl acetate 5.94
    acetic acid 351.91
    dichloromethane 4.59
    cyclohexanone 28.05
    propylene glycol 309.81
    isopropyl acetate 5.79
    DMAc 185.89
    2-ethoxyethanol 100.06
    isopentanol 19.63
    n-heptane 1.82
    ethyl formate 21.04
    1,2-dichloroethane 4.65
    n-hexanol 20.16
    2-methoxyethanol 275.31
    isobutyl acetate 3.16
    tetrachloromethane 3.82
    n-pentyl acetate 5.14
    transcutol 85.88
    n-heptanol 12.93
    ethylbenzene 0.67
    MIBK 6.8
    2-propoxyethanol 76.22
    tert-butanol 52.61
    MTBE 6.3
    2-butoxyethanol 43.28
    propionic acid 124.74
    o-xylene 1.85
    formic acid 1259.38
    diethyl ether 4.62
    m-xylene 1.47
    p-xylene 0.99
    chlorobenzene 1.35
    dimethyl carbonate 11.8
    n-octane 0.6
    formamide 689.53
    cyclopentanone 44.71
    2-pentanone 9.23
    anisole 4.07
    cyclopentyl methyl ether 14.68
    gamma-butyrolactone 74.29
    1-methoxy-2-propanol 126.27
    pyridine 9.05
    3-pentanone 6.65
    furfural 87.66
    n-dodecane 0.48
    diethylene glycol 204.58
    diisopropyl ether 2.14
    tert-amyl alcohol 34.65
    acetylacetone 18.9
    n-hexadecane 0.48
    acetophenone 8.21
    methyl propionate 13.97
    isopentyl acetate 5.66
    trichloroethylene 7.55
    n-nonanol 7.1
    cyclohexanol 30.99
    benzyl alcohol 11.99
    2-ethylhexanol 9.08
    isooctanol 9.6
    dipropyl ether 6.79
    1,2-dichlorobenzene 2.5
    ethyl lactate 22.98
    propylene carbonate 28.56
    n-methylformamide 257.53
    2-pentanol 14.68
    n-pentane 0.68
    1-propoxy-2-propanol 44.75
    1-methoxy-2-propyl acetate 14.66
    2-(2-methoxypropoxy) propanol 35.66
    mesitylene 1.86
    ε-caprolactone 33.37
    p-cymene 2.39
    epichlorohydrin 27.98
    1,1,1-trichloroethane 2.95
    2-aminoethanol 482.46
    morpholine-4-carbaldehyde 221.53
    sulfolane 189.68
    2,2,4-trimethylpentane 0.8
    2-methyltetrahydrofuran 20.57
    n-hexyl acetate 7.08
    isooctane 0.63
    2-(2-butoxyethoxy)ethanol 46.19
    sec-butyl acetate 3.52
    tert-butyl acetate 8.1
    decalin 0.73
    glycerin 678.48
    diglyme 80.15
    acrylic acid 172.41
    isopropyl myristate 3.1
    n-butyric acid 70.78
    acetyl acetate 7.83
    di(2-ethylhexyl) phthalate 7.84
    ethyl propionate 5.79
    nitromethane 195.71
    1,2-diethoxyethane 7.71
    benzonitrile 5.52
    trioctyl phosphate 7.02
    1-bromopropane 1.3
    gamma-valerolactone 104.07
    n-decanol 5.22
    triethyl phosphate 7.84
    4-methyl-2-pentanol 8.67
    propionitrile 9.05
    vinylene carbonate 28.49
    1,1,2-trichlorotrifluoroethane 140.87
    DMS 7.35
    cumene 1.13
    2-octanol 6.02
    2-hexanone 5.17
    octyl acetate 4.87
    limonene 3.88
    1,2-dimethoxyethane 59.26
    ethyl orthosilicate 7.19
    tributyl phosphate 6.21
    diacetone alcohol 36.93
    N,N-dimethylaniline 6.0
    acrylonitrile 18.93
    aniline 6.55
    1,3-propanediol 301.49
    bromobenzene 0.8
    dibromomethane 2.46
    1,1,2,2-tetrachloroethane 9.44
    2-methyl-cyclohexyl acetate 7.57
    tetrabutyl urea 11.19
    diisobutyl methanol 6.68
    2-phenylethanol 10.97
    styrene 0.71
    dioctyl adipate 6.97
    dimethyl sulfate 41.96
    ethyl butyrate 7.28
    methyl lactate 56.44
    butyl lactate 15.44
    diethyl carbonate 4.96
    propanediol butyl ether 48.41
    triethyl orthoformate 7.86
    p-tert-butyltoluene 2.58
    methyl 4-tert-butylbenzoate 17.28
    morpholine 67.84
    tert-butylamine 16.61
    n-dodecanol 4.09
    dimethoxymethane 52.92
    ethylene carbonate 21.2
    cyrene 61.96
    2-ethoxyethyl acetate 7.77
    2-ethylhexyl acetate 4.12
    1,2,4-trichlorobenzene 3.38
    4-methylpyridine 5.81
    dibutyl ether 2.98
    2,6-dimethyl-4-heptanol 6.68
    DEF 39.34
    dimethyl isosorbide 49.45
    tetrachloroethylene 12.63
    eugenol 26.56
    triacetin 13.34
    span 80 38.54
    1,4-butanediol 123.88
    1,1-dichloroethane 2.03
    2-methyl-1-pentanol 10.24
    methyl formate 108.36
    2-methyl-1-butanol 22.76
    n-decane 0.68
    butyronitrile 7.68
    3,7-dimethyl-1-octanol 6.92
    1-chlorooctane 1.77
    1-chlorotetradecane 0.93
    n-nonane 0.66
    undecane 0.54
    tert-butylcyclohexane 0.67
    cyclooctane 0.77
    cyclopentanol 61.92
    tetrahydropyran 13.36
    tert-amyl methyl ether 7.01
    2,5,8-trioxanonane 67.44
    1-hexene 0.9
    2-isopropoxyethanol 41.38
    2,2,2-trifluoroethanol 230.5
    methyl butyrate 10.31

    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