Butanedial

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  • Identifiers

    CAS number
    638-37-9

    Molecular formula
    C4H6O2

    SMILES
    C(CC=O)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 68.65%
    Pungent 62.92%
    Fruity 54.25%
    Sharp 40.88%
    Ethereal 39.66%
    Fresh 34.56%
    Aldehydic 31.96%
    Radish 30.45%
    Apple 29.25%
    Vegetable 28.46%

     

    Flavor
    Pungent 66.46%
    Almond 40.68%
    Ethereal 39.19%
    Nutty 37.17%
    Green 34.05%
    Musty 33.24%
    Vegetable 32.01%
    Mustard 31.63%
    Cocoa 31.33%
    Fatty 29.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    6.26 (neutral)

    Molecular weight
    86.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    170°C

    Flash point

    • 62.83 ˚C est.

  • Synonyms

    • SUCCINALDEHYDE
    • Butanedial
    • 638-37-9
    • Succindialdehyde
    • Succinic aldehyde
    • Succinic dialdehyde
    • 1,4-butane dialdehyde
    • NSC-11057
    • DTXSID3021514
    • RefChem:186326
    • GlyTouCan:G65606ZS
    • DTXCID001514
    • G65606ZS
    • 211-333-8
    • 0503177591
    • 1,4-Butanedione
    • 1,4-Butanedial
    • NDGA derivative
    • NSC 11057
    • .beta.-Formylpropionaldehyde
    • beta-Formylpropionaldehyde
    • diacetal
    • EINECS 211-333-8
    • Succinaldehyde(40wt%)
    • SCHEMBL20637
    • SCHEMBL35238
    • SCHEMBL60849
    • Succinaldehyde, 40% in water
    • SCHEMBL1706302
    • SCHEMBL5918577
    • CHEBI:80762
    • BB_SC-12865
    • NSC11057
    • SUCCINALDEHYDE (40% IN H2O)
    • UNII-0503177591
    • DB-008691
    • NS00006323
    • EN300-85898
    • E75948
    • F547833
    • Q4864618
    • 638-37-9

  • Applications

    Butanedial (CAS 638-37-9) is a dialdehyde used as a versatile intermediate in organic synthesis and as a building block for various polymers and resins. In polymer and coatings applications, it is employed as a crosslinking agent that enhances curing, rigidity, and chemical resistance of coatings, adhesives, and composite systems. It also serves as a precursor in the formulation of certain resins and specialty plastics. In fragrance and cosmetics, it may be used as a fragrance intermediate or precursor to aroma compounds. In pharmaceutical synthesis, it can be evaluated as a starting material for synthesizing organic compounds, depending on regulatory constraints and formulation needs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.12
    methanol 374.48
    isopropanol 92.84
    water 25.25
    ethyl acetate 127.41
    n-propanol 92.24
    acetone 312.81
    n-butanol 78.01
    acetonitrile 449.52
    DMF 528.49
    toluene 27.71
    isobutanol 61.96
    1,4-dioxane 173.62
    methyl acetate 214.5
    THF 208.0
    2-butanone 172.1
    n-pentanol 55.94
    sec-butanol 67.58
    n-hexane 13.16
    ethylene glycol 74.68
    NMP 458.32
    cyclohexane 13.39
    DMSO 511.22
    n-butyl acetate 94.29
    n-octanol 41.19
    chloroform 410.84
    n-propyl acetate 93.76
    acetic acid 568.23
    dichloromethane 498.84
    cyclohexanone 198.34
    propylene glycol 49.02
    isopropyl acetate 58.13
    DMAc 378.35
    2-ethoxyethanol 122.86
    isopentanol 63.65
    n-heptane 10.52
    ethyl formate 164.62
    1,2-dichloroethane 248.03
    n-hexanol 45.16
    2-methoxyethanol 231.28
    isobutyl acetate 45.31
    tetrachloromethane 58.01
    n-pentyl acetate 67.61
    transcutol 441.61
    n-heptanol 30.17
    ethylbenzene 27.42
    MIBK 49.32
    2-propoxyethanol 90.84
    tert-butanol 91.43
    MTBE 54.37
    2-butoxyethanol 68.06
    propionic acid 235.87
    o-xylene 30.37
    formic acid 297.27
    diethyl ether 66.87
    m-xylene 20.18
    p-xylene 44.54
    chlorobenzene 101.95
    dimethyl carbonate 61.58
    n-octane 5.89
    formamide 460.64
    cyclopentanone 300.8
    2-pentanone 97.19
    anisole 81.39
    cyclopentyl methyl ether 72.66
    gamma-butyrolactone 432.62
    1-methoxy-2-propanol 116.49
    pyridine 251.2
    3-pentanone 81.52
    furfural 432.0
    n-dodecane 5.22
    diethylene glycol 100.88
    diisopropyl ether 16.13
    tert-amyl alcohol 69.15
    acetylacetone 140.18
    n-hexadecane 5.64
    acetophenone 112.82
    methyl propionate 108.4
    isopentyl acetate 71.23
    trichloroethylene 499.33
    n-nonanol 35.34
    cyclohexanol 60.65
    benzyl alcohol 76.17
    2-ethylhexanol 36.49
    isooctanol 26.23
    dipropyl ether 42.2
    1,2-dichlorobenzene 112.83
    ethyl lactate 53.01
    propylene carbonate 203.62
    n-methylformamide 368.4
    2-pentanol 44.07
    n-pentane 9.77
    1-propoxy-2-propanol 65.82
    1-methoxy-2-propyl acetate 68.5
    2-(2-methoxypropoxy) propanol 93.17
    mesitylene 14.87
    ε-caprolactone 195.08
    p-cymene 25.09
    epichlorohydrin 290.43
    1,1,1-trichloroethane 161.03
    2-aminoethanol 105.17
    morpholine-4-carbaldehyde 326.01
    sulfolane 445.07
    2,2,4-trimethylpentane 6.35
    2-methyltetrahydrofuran 139.52
    n-hexyl acetate 92.58
    isooctane 3.35
    2-(2-butoxyethoxy)ethanol 114.46
    sec-butyl acetate 48.02
    tert-butyl acetate 50.5
    decalin 10.05
    glycerin 87.42
    diglyme 245.94
    acrylic acid 294.65
    isopropyl myristate 34.79
    n-butyric acid 203.67
    acetyl acetate 112.31
    di(2-ethylhexyl) phthalate 40.81
    ethyl propionate 76.96
    nitromethane 877.26
    1,2-diethoxyethane 108.86
    benzonitrile 159.97
    trioctyl phosphate 27.27
    1-bromopropane 95.42
    gamma-valerolactone 310.53
    n-decanol 25.58
    triethyl phosphate 46.41
    4-methyl-2-pentanol 25.86
    propionitrile 200.13
    vinylene carbonate 217.49
    1,1,2-trichlorotrifluoroethane 267.28
    DMS 102.36
    cumene 22.84
    2-octanol 24.43
    2-hexanone 89.73
    octyl acetate 46.59
    limonene 33.37
    1,2-dimethoxyethane 209.73
    ethyl orthosilicate 39.23
    tributyl phosphate 42.66
    diacetone alcohol 74.53
    N,N-dimethylaniline 61.33
    acrylonitrile 340.93
    aniline 72.68
    1,3-propanediol 124.42
    bromobenzene 87.59
    dibromomethane 262.77
    1,1,2,2-tetrachloroethane 302.43
    2-methyl-cyclohexyl acetate 58.45
    tetrabutyl urea 61.61
    diisobutyl methanol 23.61
    2-phenylethanol 56.56
    styrene 44.91
    dioctyl adipate 64.32
    dimethyl sulfate 127.8
    ethyl butyrate 79.01
    methyl lactate 74.65
    butyl lactate 64.74
    diethyl carbonate 62.27
    propanediol butyl ether 79.68
    triethyl orthoformate 51.9
    p-tert-butyltoluene 19.83
    methyl 4-tert-butylbenzoate 80.92
    morpholine 194.9
    tert-butylamine 59.42
    n-dodecanol 20.34
    dimethoxymethane 121.55
    ethylene carbonate 149.86
    cyrene 95.35
    2-ethoxyethyl acetate 96.32
    2-ethylhexyl acetate 57.81
    1,2,4-trichlorobenzene 123.11
    4-methylpyridine 187.74
    dibutyl ether 55.22
    2,6-dimethyl-4-heptanol 23.61
    DEF 171.06
    dimethyl isosorbide 152.97
    tetrachloroethylene 243.32
    eugenol 96.31
    triacetin 126.36
    span 80 77.15
    1,4-butanediol 52.01
    1,1-dichloroethane 198.59
    2-methyl-1-pentanol 52.67
    methyl formate 259.38
    2-methyl-1-butanol 60.0
    n-decane 8.39
    butyronitrile 153.04
    3,7-dimethyl-1-octanol 41.37
    1-chlorooctane 30.05
    1-chlorotetradecane 12.84
    n-nonane 8.36
    undecane 6.31
    tert-butylcyclohexane 8.64
    cyclooctane 4.6
    cyclopentanol 91.04
    tetrahydropyran 105.02
    tert-amyl methyl ether 45.09
    2,5,8-trioxanonane 172.5
    1-hexene 39.28
    2-isopropoxyethanol 69.98
    2,2,2-trifluoroethanol 244.05
    methyl butyrate 124.26

    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